B. Ganguly

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Rational Design of Mono- and Dianions as Superacids Through π-Hole Interaction: Implications for Lithium and Magnesium Ion Batteries

M. K. Si, B. Ganguly, 2018, The Journal of Physical Chemistry C.

α-Amino Acid Derived Benzimidazole-Linked Rhodamines: A Case of Substitution Effect at the Amino Acid Site toward Spiro Ring Opening for Selective Sensing of Al3+ Ions.

Sourav Ghosh, B. Ganguly, Debashish Sahu, 2017, Inorganic chemistry.

Microwave assisted isomerization of alkenyl aromatics over solid base catalysts: an understanding through theoretical study

B. Ganguly, S. Kannan, C. Jinesh, 2012 .

The role of non-covalent interaction for the adsorption of CO2 and hydrocarbons with per-hydroxylated pillar[6]arene: a computational study

B. Ganguly, Debashish Sahu, Kalyanashis Jana, 2017 .

Effect of amine spacer of PEG on the properties, performance and antifouling behavior of poly(piperazineamide) thin film composite nanofiltration membranes prepared by in situ PEGylation approach

B. Ganguly, A. Bera, S. K. Jewrajka, 2014 .

Exploring the origin and magnitude of tetrasulfur tetranitrogen interaction with π-ring systems using first principle calculations

B. Ganguly, Mrinal Kanti Si, 2018, Chemical Physics Letters.

Computational Study on Metal-Ion-Decorated Prismane Molecules for Selective Adsorption of CO2 from Flue Gas Mixtures

B. Ganguly, Padmaja D. Wakchaure, 2020, ACS omega.

Comparative study of the vicinal functionalization of olefins with 2:1 bromide/bromate and iodide/iodate reagents

P. Ghosh, B. Ganguly, M. Agrawal, 2009 .

Tuning the strain effect to induce selectivity through intramolecular nitrene insertion into an adjacent methoxy CH bond leading to form a new benzoxazole: experimental and computational studies

S. Eswaran, S. Prabhakar, B. Ganguly, 2016 .

A density functional study towards the preferential binding of anions to urea and thiourea

Amitava Das, B. Ganguly, D. Jose, 2007 .

Probing the O⋯Br–Br halogen bonding in X-ray crystal structures with ab initio calculations

P. Dastidar, B. Ganguly, Ajeet Singh, 2012 .

Receptor design and extraction of inorganic fluoride ion from aqueous medium.

Manoj K. Kesharwani, Amitava Das, B. Ganguly, 2011, Chemical communications.

Probing the influence of solvent effects on the conformational behavior of 1,4-diazacyclohexane systems

B. Ganguly, Ajeet Singh, Anik Sen, 2010 .

Probing the influence of stereoelectronic effects on lithium affinity in 1,3- and 1,4-dioxa systems

B. Ganguly, B. Fuchs, 2001 .

Borazine as a sensor for fluoride ion: a computational and experimental study

Manoj K. Kesharwani, Amitava Das, B. Ganguly, 2011 .

Tuning the ring strain effect in acridine derivatives on binding affinity with G-quadruplex-DNA: A computational and experimental study.

S. Pramanik, M. K. Si, B. Ganguly, 2019, International journal of biological macromolecules.

DFT studies on a new class of cage functionalized organic superbases

B. Ganguly, Ajeet Singh, 2009 .

Strategic design of small and versatile bicyclic organic superbases: a density functional study

B. Ganguly, Ajeet Singh, 2008 .

Conformational analysis and the binding sites of nitrilotriacetamide: A computational study

B. Ganguly, Ajeet Singh, S. Chakraborty, 2007 .

DFT Studies toward the Design and Discovery of a Versatile Cage-Functionalized Proton Sponge

B. Ganguly, Ajeet Singh, 2007 .

Probing the reactivation process of sarin-inhibited acetylcholinesterase with α-nucleophiles: hydroxylamine anion is predicted to be a better antidote with DFT calculations.

B. Ganguly, T. Bandyopadhyay, Rabindranath Lo, 2011, Journal of molecular graphics & modelling.

Designed inhibitors with hetero linkers for gastric proton pump H+,K+-ATPase: Steered molecular dynamics and metadynamics studies.

B. Ganguly, T. Bandyopadhyay, Kalyanashis Jana, 2017, Journal of molecular graphics & modelling.

Role of Noncovalent Interactions in Designing Inhibitors for H+,K+‐ATPase: Combined QM and MD Based Investigations

Nellore Bhanu Chandar, B. Ganguly, T. Bandyopadhyay, 2016 .

ZnII–2,2′:6′,2″-Terpyridine-Based Complex as Fluorescent Chemosensor for PPi, AMP and ADP

Manoj K. Kesharwani, Amitava Das, B. Ganguly, 2011 .

The effect of σ/π, σ and π donors on the basicity of silylene superbases: a density functional theory study

M. K. Si, B. Ganguly, Abul Kalam Biswas, 2018 .

Revealing Germylene Compounds to Attain Superbasicity with Sigma Donor Substituents: A Density Functional Theory Study.

B. Ganguly, Abul Kalam Biswas, 2017, Chemistry.

First principles studies toward the design of silylene superbases: a density functional theory study.

B. Ganguly, Rabindranath Lo, Abul Kalam Biswas, 2013, The journal of physical chemistry. A.

Electrostatic origin towards the reversal of π-facial selectivity of 5,6-cis,exo-disubstituted bicyclic[2.2.2]oct-2-enes with m-chloroperbenzoic acid and diazomethane: a computational study

B. Ganguly, Anik Sen, 2010 .

Origins of reversing diastereoselectivity of α,β-dichloro-γ-butenolides and γ-butyrolactams in direct vinylogous aldol addition: a computational study

B. Ganguly, A. Khan, Ji Zhang, 2012 .

Probing the simulant behavior of PNPDPP toward parathion and paraoxon: a computational study.

B. Ganguly, T. Bandyopadhyay, A. Khan, 2012, Journal of molecular graphics & modelling.

2-Amino-pentanoic acid and 1-Pyridiniumylacetate are new additives to generate distinct morphs of salt crystals: A combined computational and experimental study

S. Pramanik, M. K. Si, B. Ganguly, 2019, Journal of Molecular Structure.

In silico study on the mechanism of formation of hydrazine and nitrogen in the reactions of excess hydroxylamine with 2,4-dinitrophenyl diethyl phosphate

Nellore Bhanu Chandar, B. Ganguly, N. Chandar, 2015 .

New chemodosimetric reagents as ratiometric probes for cysteine and homocysteine and possible detection in living cells and in blood plasma.

Nellore Bhanu Chandar, Amitava Das, B. Ganguly, 2012, Chemistry.

Effect of conformation, flexibility and intramolecular interaction on ion selectivity of calix[4]arene-based anion sensors: experimental and computational studies

M. K. Si, B. Ganguly, E. Suresh, 2017 .

Calix[4]arene based fluorescent chemosensor bearing coumarin as fluorogenic unit: Synthesis, characterization, ion-binding property and molecular modeling

S. Patra, B. Ganguly, P. Paul, 2013 .

Photosensitization of nanoparticulate TiO2 using a Re(I)-polypyridyl complex: studies on interfacial electron transfer in the ultrafast time domain.

Amitava Das, B. Ganguly, H. Ghosh, 2012, Physical chemistry chemical physics : PCCP.

Can hydroxylamine be a more potent nucleophile for the reactivation of tabun-inhibited AChE than prototype oxime drugs? An answer derived from quantum chemical and steered molecular dynamics studies.

B. Ganguly, Rabindranath Lo, 2014, Molecular bioSystems.

Assessing the reactivation efficacy of hydroxylamine anion towards VX-inhibited AChE: a computational study

B. Ganguly, Md. Abdul Shafeeuulla Khan, Md Abdul Shafeeuulla Khan, 2012, Journal of Molecular Modeling.

Revealing the cholinergic inhibition mechanism of Alzheimer’s by galantamine: a metadynamics simulation study

B. Ganguly, Kalyanashis Jana, Padmaja D. Wakchaure, 2020, Journal of biomolecular structure & dynamics.

Superior Grafting and State-of-the-Art Interfacial Electron Transfer Rates for Newly Designed Geminal Dicarboxylate Bound Ruthenium(II)– and Osmium(II)–Polypyridyl Dyes on TiO2 Nanosurface

Amitava Das, B. Ganguly, H. Ghosh, 2014 .

New Ru(II)/Os(II)-polypyridyl complexes for coupling to TiO2 surfaces through acetylacetone functionality and studies on interfacial electron-transfer dynamics.

Amitava Das, B. Ganguly, H. Ghosh, 2014, Dalton transactions.

Chemical fixation of CO2 to cyclic carbonates using Al(III) β-aminoalcohol based efficient catalysts: An experimental and computational studies

Shailesh C. Verma, M. K. Si, B. Ganguly, 2016 .

The influence of noncovalent interactions in metal-free organic dye molecules to augment the efficiency of dye sensitized solar cells: A computational study

Amitava Das, B. Ganguly, Abul Kalam Biswas, 2017 .

Tuning the electronic effects in designing ligands for the inhibition of rotamase activity of FK506 binding protein

B. Ganguly, Padmaja D. Wakchaure, 2021, Theoretical Chemistry Accounts.

Photochemical Chlorocarbonylation of HCTD by Oxalyl Chloride. Carbocation-Mediated Rearrangement of HCTD Derivatives to Novel, Substituted Heptacyclopentadecanes

S. Alihodžić, B. Ganguly, A. P. Marchand, 1998 .

Electrostatic vs. Orbital Control of Facial Selectivities in π Systems: Experimental and Theoretical Study of Electrophilic Additions to 7‐Isopropylidenenorbornanes

J. Chandrasekhar, B. Ganguly, S. R. Gadre, 1994 .

Regioselectivity of vinyl sulfone based 1,3-dipolar cycloaddition reactions with sugar azides by computational and experimental studies.

B. Ganguly, Debashish Sahu, T. Pathak, 2014, Organic letters.

Colorimetric dual sensor for Cu(II) and tyrosine and its application as paper strips for detection in water and human saliva as real samples.

M. K. Si, B. Ganguly, E. Suresh, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthetic and Theoretical Investigations on the Construction of Oxanorbornenes by a Michael Addition and Intramolecular Diels–Alder Furan Reaction

Manoj K. Kesharwani, B. Ganguly, S. Mobin, 2008 .

Metal‐free catalytic activation and borylation of the ––H bond of 1‐methyl pyrrole using adamantane‐derived aminoborane frustrated Lewis pairs: A density functional theory study

B. Ganguly, T. Patel, 2021 .

X‐Ray Crystallographic Investigations of an Azacryptand and its Bis‐Protonated Salt: Interactions of Acyclic Water Trimer and C‐H…π Interactions in T‐shaped Benzene Dimer

B. Ganguly, P. Ghosh, P. Lakshminarayanan, 2008 .

Synthetically amenable amide derivatives of tosylated-amino acids as organocatalysts for enantioselective allylation of aldehydes: computational rationale for enantioselectivity.

D. Ghosh, B. Ganguly, Debashish Sahu, 2013, Organic & biomolecular chemistry.

Probing O-dealkylation and deamination aging processes in tabun-conjugated AChE: a computational study

Manoj K. Kesharwani, B. Ganguly, T. Bandyopadhyay, 2012, Theoretical Chemistry Accounts.

Molecular interactions, proton exchange, and photoinduced processes prompted by an inclusion process and a [2]pseudorotaxane formation.

Manoj K. Kesharwani, Amitava Das, B. Ganguly, 2013, The Journal of organic chemistry.

Total synthesis of novel bioactive natural product paracaseolide A and analogues: computational evaluation of a ‘proposed’ biomimetic Diels–Alder reaction

B. Ganguly, Debashish Sahu, F. Khan, 2014 .

An alternative approach: a highly selective dual responding fluoride sensor having active methylene group as binding site.

Manoj K. Kesharwani, Amitava Das, B. Ganguly, 2012, Organic & biomolecular chemistry.

Ultrasensitive colorimetric detection of fluoride and arsenate in water and mammalian cells using recyclable metal oxacalixarene probe: a lateral flow assay

D. Bhatia, P. Mondal, B. Ganguly, 2022, Scientific Reports.

Exploiting CF Bond of Hexafluorocyclohexane and Decafluoroadamantane Systems to Capture Flue Gases: A Computational Study

B. Ganguly, S. R. Pradhan, 2017 .

A first principles investigation of aging processes in soman conjugated AChE.

Nellore Bhanu Chandar, B. Ganguly, N. Chandar, 2013, Chemico-biological interactions.

In silico studies toward the recognition of fluoride ion by substituted borazines.

Manoj K. Kesharwani, B. Ganguly, 2012, Journal of molecular graphics & modelling.

Generation and trapping of a cage annulated vinylidenecarbene and approaches to its cycloalkyne isomer.

B. Ganguly, S. Mobin, I. Namboothiri, 2012, The Journal of organic chemistry.

Highly Regioselective Tandem Hydroformylation of Substituted Styrene using Iminophosphine Rhodium Complex Immobilized on Carbon

B. Ganguly, Ankush V. Biradar, Amravati S. Singh, 2022, Journal of Industrial and Engineering Chemistry.

Conformational preferences of α-functionalised keten-S,N-acetals: potential role of SO and SS interactions in solution

J. Chandrasekhar, B. Ganguly, A. Deshmukh, 1995 .

Quantum chemical and well-tempered metadynamics study to design adenine analogs for orthogonal Preq1 riboswitch

B. Ganguly, T. Bandyopadhyay, Kalyanashis Jana, 2020, Journal of biomolecular structure & dynamics.

Sensitization of nanocrystalline TiO2 anchored with pendant catechol functionality using a new tetracyanato ruthenium(II) polypyridyl complex.

Amitava Das, B. Ganguly, H. Ghosh, 2010, Inorganic chemistry.

In silico studies to probe the catalytic role of cucurbit[n]uril on [4+2] cycloaddition reaction between cyclopentadiene and methyl acrylate

B. Ganguly, Debashish Sahu, 2013 .

Revealing the Origin of Π‐facial and Regioselectivity in the Diels‐Alder Reaction of Unsymmetrical, Cage‐annulated 1,3‐Cyclohexadiene with Ethyl Propiolate Dienophile: a DFT Study

B. Ganguly, T. Patel, 2020 .

A computational approach towards predicting π-facial selectivity in sterically unbiased olefins: an evaluation of the relative importance of electrostatic and orbital effects

B. Ganguly, G. Mehta, Anik Sen, 2011 .

Hydrogen bonding interaction between active methylene hydrogen atoms and an anion as a binding motif for anion recognition: experimental studies and theoretical rationalization.

Manoj K. Kesharwani, Amitava Das, B. Ganguly, 2014, The journal of physical chemistry. A.

Effective Docking Program for Designing Reactivator for Treating Organophosphorus Inhibited AChE

Nellore Bhanu Chandar, B. Ganguly, Rabindranath Lo, 2016 .

Metal‐Free Catalytic Functionalization of Second − C sp 2 −H Bond of 1‐Methyl Pyrrole Using Bishomocubane‐Derived Aminoborane Frustrated Lewis Pairs: A Computational Study

B. Ganguly, T. Patel, 2023, ChemistrySelect.

DFT exploration to tune the silyl group as anchoring unit on the performance of dye-sensitized solar cells: an approach to suppress dye leaching from semiconductor surface

B. Ganguly, Anusuya Saha, 2022, Journal of Molecular Modeling.

First principle studies toward the design of a new class of carbene superbases involving intramolecular H···π interactions.

B. Ganguly, Rabindranath Lo, 2011, Chemical communications.

Instant Detection of Hydrogen Cyanide Gas and Cyanide Salts in Solid Matrices and Water by using CuII and NiII Complexes of Intramolecularly Hydrogen Bonded Zwitterions.

B. Ganguly, E. Suresh, Kalyanashis Jana, 2018, Chemistry.

A DFT study to design super- and hyperacids with 1-(cyclopenta-2,4-dien-1-yl)-4-nitrobenzene and 3-(cyclopenta-2,4-dien-1-ylmethylene)-6-methylenecyclohexa-1,4-diene molecules

M. K. Si, B. Ganguly, 2017 .

Asymmetric Henry reaction of trifluoromethyl ketone and aldehyde using Cu(II)-complex: computational study offers the origin of enantioselectivity with varied size of catalysts

Shailesh C. Verma, M. Choudhary, B. Ganguly, 2015 .

A density functional study towards substituent effects on anion sensing with urea receptors

Amitava Das, B. Ganguly, Amrita Ghosh, 2010, Journal of molecular modeling.

Structure-property correlation of a new family of organogelators based on organic salts and their selective gelation of oil from oil/water mixtures.

P. Dastidar, B. Ganguly, Amar Ballabh, 2004, Chemistry.

Unprecedented iminobenzosemiquinone and iminobenzoquinone coordinated mononuclear Cu(ii) complex formation under air.

M. Mondal, B. Ganguly, C. Mukherjee, 2015, Dalton transactions.

Urea-based ruthenium(II)-polypyridyl complex as an optical sensor for anions: synthesis, characterization, and binding studies.

Amitava Das, B. Ganguly, Amrita Ghosh, 2007, Inorganic chemistry.

Estimation of bisulfate in edible plant foods, dog urine, and drugs: picomolar level detection and bio-imaging in living organisms.

B. Ganguly, P. Chatterjee, S. Haldar, 2019, The Analyst.

Urea and thiourea based efficient colorimetric sensors for oxyanions

Amitava Das, B. Ganguly, D. Jose, 2005 .

Efficient and simple colorimetric fluoride ion sensor based on receptors having urea and thiourea binding sites.

Amitava Das, B. Ganguly, D. Jose, 2004, Organic letters.

An experimental and computational analysis on the differential role of the positional isomers of symmetric bis-2-(pyridyl)-1H-benzimidazoles as DNA binding agents.

S. Bhattacharya, B. Ganguly, P. Chaudhuri, 2007, The Journal of organic chemistry.

Oxazoline-based organocatalyst for enantioselective strecker reactions: a protocol for the synthesis of levamisole.

B. Ganguly, Debashish Sahu, R. I. Kureshy, 2013, Chemistry.

Indium-Catalyzed Denitrogenative Transannulation of Pyridotriazoles: Synthesis of Pyrido[1,2- a]indoles.

B. Ganguly, E. Suresh, Kalyanashis Jana, 2019, Organic letters.

Visible-Light-Induced Efficient Selective Oxidation of Nonactivated Alcohols over {001}-Faceted TiO2 with Molecular Oxygen.

B. Ganguly, A. Panda, S. Ghosh, 2016, Chemistry, an Asian journal.

Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies

S. Patra, B. Ganguly, E. Suresh, 2012 .

Fluoride free synthesis of anatase TiO2 nanocrystals with exposed active {001} facets.

B. Ganguly, Narottam Sutradhar, A. Panda, 2014, Chemical communications.

Asymmetric hydrolytic kinetic resolution with recyclable polymeric Co(III)–salen complexes: a practical strategy in the preparation of (S)-metoprolol, (S)-toliprolol and (S)-alprenolol: computational rationale for enantioselectivity

B. Ganguly, R. I. Kureshy, Noor-ul H. Khan, 2014 .

Phenol- and catechol-based ruthenium(II) polypyridyl complexes as colorimetric sensors for fluoride ions.

Amitava Das, W. Thiel, B. Ganguly, 2007, Inorganic chemistry.

Cooperativity between the Substrate and Ligand in Palladium-Catalyzed Allylic Alkylation Using 1-Aryl-1-propynes.

B. Ganguly, E. Suresh, S. Bhadra, 2022, The Journal of organic chemistry.

The origin for highly enantioselective induction of 1-naphthol to isatin-derived N-Boc ketimines catalyzed by quinine thiourea catalyst: an experimental and computational study

B. Ganguly, R. I. Kureshy, Noor-ul H. Khan, 2015 .

Ratiometric detection of Cr3+ and Hg2+ by a naphthalimide-rhodamine based fluorescent probe.

Manoj K. Kesharwani, Amitava Das, M. Conconi, 2012, Inorganic chemistry.

Direct C–N bond formation in an in situ ligand transformation reaction and formation of polymeric 1D cadmium(II) complexes with end-to-end bridging thiocyanate or selenocyanate ions: Synthesis, structures and theoretical studies

B. Ganguly, Tanaya Kundu, A. Solanki, 2017 .

On the Origins of Diastereofacial Selectivity in Diels-Alder Cycloadditions

K. Morokuma, B. Ganguly, R. Froese, 1999 .

Rugby-ball-shaped sulfate-water-sulfate adduct encapsulated in a neutral molecular receptor capsule.

Amitava Das, B. Ganguly, D. Jose, 2007, Inorganic chemistry.

Anion recognition through hydrogen bonding by adamantane-dipyrromethane receptors

Manoj K. Kesharwani, B. Ganguly, B. Kojić-Prodić, 2010 .

The mechanism of conversion of substituted glycals to chiral acenes via Diels-Alder reaction: a computational study.

B. Ganguly, Kalyanashis Jana, Nazar Hussain, 2021, Organic & biomolecular chemistry.

Synthesis of Unsaturated Drying Oils from Saturated Fatty Oils Derived from Renewable Feedstocks

S. V. Sancheti, P. Ghosh, G. Yadav, 2020 .

In silico design of adamantane derived organic superbases with an extended hydrogen bond network and their use as molecular containers for the storage of H2 and CO2

B. Ganguly, Krishnendu Khamaru, 2015 .

Furo[2,3‐c]pyrans from a Vinyl Sulfone Modified Methyl 2,6‐O‐Anhydro‐α‐D‐hexopyranoside: An Experimental and Theoretical Investigation

B. Ganguly, Debashish Sahu, T. Pathak, 2013 .

Probing the role of solvation in predicting the π-facial selectivity of 5-Fluoro-2-methyleneadamantane with per-acid: A case study

B. Ganguly, Anik Sen, 2013 .

In silico studies toward the recognition of fluoride ion by novel bicyclic diborane receptors and tuning through remote substituent effects

Manoj K. Kesharwani, B. Ganguly, Debashish Sahu, 2013, Theoretical Chemistry Accounts.

Influence of Urea N–H Acidity on Receptor–Anionic and Neutral Analyte Binding in a Ruthenium(II)–Polypyridyl‐Based Colorimetric Sensor

Amitava Das, B. Ganguly, Amrita Ghosh, 2009 .

A semi-empirical and density functional study on the origin of regioselective epoxy-ring opening of 2′3′-lyxoanhydrothymidine

B. Ganguly, 2004 .

An experimental and theoretical study on the remarkable influence of protecting groups on the selectivity of addition of amines to vinyl sulfone-modified hex-2-enopyranosides.

Manoj K. Kesharwani, C. G. Suresh, B. Ganguly, 2010, The Journal of organic chemistry.

Selectivities in the 1,3-dipolar cycloaddition of nitrile oxides to dicyclopentadiene and its derivatives

M. Cojocaru, B. Ganguly, S. Mobin, 2004 .

π-Facial selectivities and proximal/distal regioselectivities in Diels–Alder reactions of unsymmetrical, cage-annulated 1,3-cyclohexadienes

T. D. Power, S. Bott, B. Ganguly, 2001 .

Origin of reversal of stereoselectivity for [4+2] cycloaddition reaction between cyclopentadiene and methyl methacrylate in the presence of the chloroloaluminate ionic liquid (1-ethyl-3-methyl-imidazolium chloride): in silico studies

Manoj K. Kesharwani, B. Ganguly, Debashish Sahu, 2014 .

Probing the selective separation of potassium ion from sodium ion with cyclopentadienyl anion as receptor: a computational study

M. K. Si, B. Ganguly, M. L. Desai, 2015, Journal of Molecular Modeling.

Intra-annular cyclophane diamines as proton sponges: a computational study

W. Thiel, B. Ganguly, Debasis Koley, 2007 .

Tandem cyclization-cycloaddition behavior of rhodium carbenoids with carbonyl compounds: stereoselective studies on the construction of novel epoxy-bridged tetrahydropyranone frameworks.

P. Dastidar, B. Ganguly, E. Suresh, 2002, The Journal of organic chemistry.

Superbasicity of silylene derivatives achieved via non-covalent intramolecular cation···π interactions and exploited as molecular containers for CO2.

M. K. Si, B. Ganguly, Rabindranath Lo, 2014, Physical chemistry chemical physics : PCCP.

Effect of steric crowding on ion selectivity for calix-crown hybrid ionophores: experimental, molecular modeling and crystallographic studies

S. Patra, B. Ganguly, E. Suresh, 2010 .

Benzimidazolium-based chemosensors: selective recognition of H2PO4−, HP2O73−, F− and ATP through fluorescence and gelation studies

B. Ganguly, Debashish Sahu, K. Ghosh, 2015 .

Dipicrylamine as a colorimetric sensor for anions: experimental and computational study

Manoj K. Kesharwani, B. Ganguly, P. Paul, 2014 .

Study of the competitive binding of mixed alkali and alkaline earth metal ions with dibenzo-30-crown-10

P. Ghosh, B. Ganguly, E. Suresh, 2005 .

Role of positional isomers on receptor–anion binding and evidence for resonance energy transfer

Amitava Das, B. Ganguly, Amrita Ghosh, 2007 .

Azaindole-1,2,3-triazole conjugate as selective fluorometric sensor for dihydrogenphosphate

B. Ganguly, Debashish Sahu, K. Ghosh, 2013 .

Probing the Recognition of Halide and OxyAnions in the Polarprotic and Polaraprotic Solvent Mediums with Neutral UreaBased Receptors: A Computational Study

B. Ganguly, Debashish Sahu, 2016 .

Can surface energy be a parameter to define morphological change of rock-salt crystals with additives? A first principles study

B. Ganguly, A. Khan, 2013 .

Functionalized calix[4]arene as a colorimetric dual sensor for Cu(II) and cysteine in aqueous media: experimental and computational study

B. Ganguly, E. Suresh, Madhuri Bhatt, 2017 .

A Highly Selective Turn-On Biosensor for Measuring Spermine/Spermidine in Human Urine and Blood.

B. Ganguly, P. Chatterjee, Padmaja D. Wakchaure, 2019, ACS applied bio materials.

Folding and unfolding movements in a [2]pseudorotaxane.

Manoj K. Kesharwani, Amitava Das, N. N. Adarsh, 2011, The Journal of organic chemistry.

Exploiting the role of stereoelectronic effects to design the antagonists of the human complement C3a receptor

B. Ganguly, Sana Jindani, 2021 .

Impact of "half-crown/two carbonyl"-Ca2+ metal ion interactions of a low molecular weight gelator (LMWG) on its fiber to nanosphere morphology transformation with a gel-to-sol phase transition.

Amitava Das, M. K. Si, B. Ganguly, 2018, Soft matter.

Role of metal ion in specific recognition of pyrophosphate ion under physiological conditions and hydrolysis of the phosphoester linkage by alkaline phosphatase.

Nellore Bhanu Chandar, Amitava Das, B. Ganguly, 2013, Inorganic chemistry.

Probing the structural and electronic effects to stabilize nonplanar forms of thioamide derivatives: A computational study

Manoj K. Kesharwani, Bishwajit Ganguly, B. Ganguly, 2011, J. Comput. Chem..

A new receptor with a FRET based fluorescence response for selective recognition of fumaric and maleic acids in aqueous medium.

Amitava Das, B. Ganguly, Tanmay Banerjee, 2013, Chemical communications.

Probing the influence of electronic effects of organic additives on the morphology of sodium chloride crystals: a combined experimental and computational study

B. Ganguly, Ajeet Singh, Moorthy Suresh, 2010 .

Preferential binding of the magnesium ion by anthraquinone based chromogenic receptors

Amitava Das, B. Ganguly, P. Kar, 2007 .

A Switch-On NIR Probe for Specific Detection of Hg2+ Ion in Aqueous Medium and in Mitochondria.

Amitava Das, S. Chattopadhyay, B. Ganguly, 2016, Inorganic chemistry.

Rational design of a new class of polycyclic organic bases bearing two superbasic sites and their applications in the CO2 capture and activation process.

Manoj K. Kesharwani, B. Ganguly, Ajeet Singh, 2012, Chemical communications.

Exploiting Weak Noncovalent Cation···π Interaction for Designing a Molecular Container for Storage of Methane Molecules with Lithiated Carbene Superbases

B. Ganguly, Rabindranath Lo, 2014 .

Synthesis of a novel cage-functionalized chiral binaphthol host: a potential new agent for enantioselective recognition of chiral ammonium salts

B. Ganguly, A. P. Marchand, Hyun-Soon Chong, 1999 .

4-Substituted norsnoutanones: a new probe system forevaluatingelectronic effects in π-facial selectivity in nucleophilicadditions

J. Chandrasekhar, B. Ganguly, G. Mehta, 1997 .

π-Facial diastereoselection in reductions of sterically unbiased ketones containing the norbornyl framework: further tests for theoretical models

J. Chandrasekhar, B. Ganguly, F. Khan, 1994 .

Importance of orbital and electrostatic interactions in determining π-facial selectivities in nucleophilic additions to endo-substituted bicyclo[2.2.2]octan-2-ones

J. Chandrasekhar, B. Ganguly, F. Khan, 1992 .

Ground state geometric distortions image distal substituent effects in determining the β-facial selectivity in 7-norbornenones

J. Chandrasekhar, B. Ganguly, F. Khan, 1992 .

Probing the influence of pH dependent citric acid towards the morphology of rock salt: a computational study

B. Ganguly, A. Khan, Anik Sen, 2009 .

Towards Understanding of the Selective Precipitation of Alkali Metal Cations in Presence of Dipicrylamine Anion

P. Ghosh, B. Ganguly, P. Paul, 2005 .

Can Nitrilotriacetic Acid (NTA) Act as a Habit Modifier for Rock Salt Crystals? An Answer from Computational and Experimental Studies

B. Ganguly, A. Khan, Ajeet Singh, 2011 .

Computational predictions turning the isomers of alanine to generate distinct morphs of free-flowing salt crystals.

S. Pramanik, M. K. Si, B. Ganguly, 2018, Physical chemistry chemical physics : PCCP.

Is dual morphology of rock-salt crystals possible with a single additive? The answer is yes, with barbituric acid.

B. Ganguly, Anik Sen, 2012, Angewandte Chemie.

Density Functional Theory Study of Urea Interaction with Potassium Chloride Surfaces

B. Ganguly, Ajeet Singh, 2011 .

Morphology of potassium chloride in aqueous and in formamide solution ― An experimental and computational investigation

B. Ganguly, I. Mukhopadhyay, Ajeet Singh, 2009 .

DFT study of urea interaction with potassium chloride surfaces

B. Ganguly, Ajeet Singh, 2008 .

DFT Study To Explore the Importance of Ring Size and Effect of Solvents on the Keto–Enol Tautomerization Process of α- and β-Cyclodiones

B. Ganguly, Kalyanashis Jana, 2018, ACS omega.

Nitrene insertion into an adjacent o-methoxy group followed by nucleophilic addition to the heterocumulene intermediate: Experimental and computational studies

S. Eswaran, S. Prabhakar, B. Ganguly, 2017 .

On the differences of separation of hazardous catechol and resorcinol through tailor-made thin film composite (TFC) membranes

B. Ganguly, Debashish Sahu, A. Bhattacharya, 2015 .

Relevance of torsional effects to the conformational equilibria of 1,5-diaza-cis-decalins: a theoretical and experimental study.

B. Ganguly, M. Kozlowski, D. A. Freed, 2001, The Journal of organic chemistry.

In Silico Studies in Exploiting Weak Noncovalent C–H+···π and π–π Interactions To Achieve Dual Properties: Hyperbasicity and Multiple Dihydrogen Storage Materials with Paracyclophane-Based Carbene Derivatives

B. Ganguly, Rabindranath Lo, 2013 .

Stereoselective and regioselective synthesis of azepane and azepine derivatives via piperidine ring expansion

M. Brechbiel, B. Ganguly, R. Rogers, 2002 .

Revealing halogen bonding interactions with anomeric systems: an ab initio quantum chemical studies.

B. Ganguly, Rabindranath Lo, 2015, Journal of molecular graphics & modelling.

Thermodynamic rearrangement of the pentacyclo[5.4.0.02,6.03,10.05,9]undecane skeleton

B. Ganguly, A. P. Marchand, K. Mlinarić-Majerski, 1998 .

Exploiting propane-1,3-diimines as building blocks for superbases: a DFT study

B. Ganguly, Rabindranath Lo, 2011 .

C2‐Chiral Substituted cis‐1,3,5,7‐Tetraazadecalins as Proton Sponges:A Computational Study

B. Ganguly, Ajeet Singh, S. Chakraborty, 2006 .

Generation and trapping of an unsymmetrical, caged pyramidalized alkene

B. Ganguly, A. P. Marchand, I. Namboothiri, 1999 .

Conformational analysis of 2-(1-adamantyl)-3-hydroxybutyric acid by 1H NMR spectroscopy and computational studies

B. Ganguly, N. Basarić, K. Mlinarić-Majerski, 2008 .

Influence of gauche effect on uncharged oxime reactivators for the reactivation of tabun-inhibited AChE: quantum chemical and steered molecular dynamics studies

Bishwajit Ganguly, Kalyanashis Jana, Shibaji Ghosh, 2018, Journal of Computer-Aided Molecular Design.

Hydrolysis and retro‐aldol cleavage of ethyl threo‐2‐(1‐adamantyl)‐3‐hydroxybutyrate: competing reactions

Manoj K. Kesharwani, B. Ganguly, N. Basarić, 2011 .

DFT studies on quantum mechanical tunneling in tautomerization of three-membered rings.

B. Ganguly, Kalyanashis Jana, 2018, Physical chemistry chemical physics : PCCP.

trans- versus cis-1,3,5,7-Tetraoxadecalin: A Structural, Thermochemical, and Computational Study1a

Christoph Rüchardt, Bishwajit Ganguly, Anthony Linden, 1998 .

Revealing the parameters to design the habit modifiers for rock-salt crystals: empirical to rational approach

B. Ganguly, Ajeet Singh, Anik Sen, 2015 .

A DFT study to probe homo-conjugated norbornylogous bridged spacers in dye-sensitized solar cells: an approach to suppressing agglomeration of dye molecules

B. Ganguly, Anusuya Saha, 2020, RSC advances.

A new strategy to generate super and hyper acids with simple organic molecules exploiting σ-hole interaction.

M. K. Si, B. Ganguly, Anusuya Saha, 2019, Physical chemistry chemical physics : PCCP.

Exploiting hydrogen bonding interactions to probe smaller linear and cyclic diamines binding to G-quadruplexes: a DFT and molecular dynamics study.

B. Ganguly, Anik Sen, Mrinal Kanti Si, 2017, Physical chemistry chemical physics : PCCP.

Differential binding of bispyridinium oxime drugs with acetylcholinesterase

Manoj K. Kesharwani, B. Ganguly, A. Das, 2010, Acta Pharmacologica Sinica.

Probing the influence of solvent effect on the lithium ion binding affinity of 12-crown-O3N derivatives with unsaturated side arms: a computational study.

B. Ganguly, P. Paul, R. Patidar, 2013, Journal of molecular graphics & modelling.

Solvolysis process of organophosphorus compound P-[2-(dimethylamino)ethyl]-N,N-dimethylphosphonamidic fluoride with simple and α-nucleophiles: a DFT study

Manoj K. Kesharwani, B. Ganguly, T. Bandyopadhyay, 2010 .

In silico studies toward understanding the interactions of DNA base pairs with protonated linear/cyclic diamines.

B. Ganguly, Debashish Sahu, Anik Sen, 2013, The journal of physical chemistry. B.

Probing the Role of Imidazopyridine and Imidazophosphorine Scaffolds To Design Novel Proton Pump Inhibitor for H+,K+-ATPase: A DFT Study

B. Ganguly, T. Bandyopadhyay, Kalyanashis Jana, 2019, ACS Omega.

Tandem Michael-anti-Michael Addition-Mediated Orthogonal Strapping of Diynones: Regioselective Spirocyclopentannulation of Oxindoles and Pyrazolones and DFT Validation.

B. Ganguly, M. Sarma, Srihari Pabbaraja, 2021, The Journal of organic chemistry.

Revealing the importance of linkers in K-series oxime reactivators for tabun-inhibited AChE using quantum chemical, docking and SMD studies

Bishwajit Ganguly, Kalyanashis Jana, Shibaji Ghosh, 2017, Journal of Computer-Aided Molecular Design.

A computational study toward understanding the separation of ions of potassium chloride microcrystal in water

B. Ganguly, Anik Sen, 2012, Theoretical Chemistry Accounts.

Structural insights into the interactions of flavin mononucleotide (FMN) and riboflavin with FMN riboswitch: a molecular dynamics simulation study

B. Ganguly, Kalyanashis Jana, Padmaja D. Wakchaure, 2019, Journal of biomolecular structure & dynamics.

Revealing the mechanistic pathway of cholinergic inhibition of Alzheimer's disease by donepezil: a metadynamics simulation study.

B. Ganguly, Kalyanashis Jana, Shibaji Ghosh, 2019, Physical chemistry chemical physics : PCCP.

The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studies.

B. Ganguly, Rabindranath Lo, Shibaji Ghosh, 2016, Molecular bioSystems.

In silico studies on the role of mutant Y337A to reactivate tabun inhibited mAChE with K048.

B. Ganguly, Rabindranath Lo, Semire Banjo, 2015, Chemico-biological interactions.

Quantum chemical and steered molecular dynamics studies for one pot solution to reactivate aged acetylcholinesterase with alkylator oxime.

B. Ganguly, Rabindranath Lo, N. Chandar, 2014, Chemico-biological interactions.

In Silico Studies in Probing the Role of Kinetic and Structural Effects of Different Drugs for the Reactivation of Tabun-Inhibited AChE

Manoj K. Kesharwani, B. Ganguly, Rabindranath Lo, 2013, PloS one.

In silico studies with substituted adenines to achieve a remarkable stability of mispairs with thymine nucleobase

B. Ganguly, Kalyanashis Jana, 2016 .

In silico studies to explore the mutagenic ability of 5-halo/oxy/li-oxy-uracil bases with guanine of DNA base pairs.

B. Ganguly, Kalyanashis Jana, 2014, The journal of physical chemistry. A.

Exploring the structure, function of thiamine pyrophosphate riboswitch, and designing small molecules for antibacterial activity

B. Ganguly, Padmaja D. Wakchaure, 2023, Wiley interdisciplinary reviews. RNA.

Molecular level insights into the inhibition of gene expression by thiamine pyrophosphate (TPP) analogs for TPP riboswitch: A well-tempered metadynamics simulations study.

B. Ganguly, Padmaja D. Wakchaure, 2021, Journal of molecular graphics & modelling.

Solar driven uphill conversion of dicyclopentadiene to cyclopentadiene: an important synthon for energy systems and fine chemicals

S. Maiti, P. Ghosh, M. K. Si, 2014 .

Deciphering the Mechanism of action of 5FDQD and design of new neutral analogues for FMN riboswitch: A Well-tempered metadynamics simulation study

B. Ganguly, Padmaja D. Wakchaure, 2021, Physical Chemistry Chemical Physics.

Exploiting the optical sensing of fluorophore-tagged DNA nucleobases on hexagonal BN and Al-doped BN sheets: a computational study.

B. Ganguly, Surjit Bhai, 2021, Physical chemistry chemical physics : PCCP.

Probing the Interaction of Nucleobases and Fluorophore‐Tagged Nucleobases with Graphene Surface: Adsorption and Fluorescence Studies

B. Ganguly, Surjit Bhai, 2020 .

Does Bridging Geometry Influence Interfacial Electron Transfer Dynamics? Case of the Enediol-TiO2 System

B. Ganguly, H. Ghosh, Sachin Rawalekar, 2012 .

Revealing the Inhibition Mechanism of RNA-Dependent RNA Polymerase (RdRp) of SARS-CoV-2 by Remdesivir and Nucleotide Analogues: A Molecular Dynamics Simulation Study.

B. Ganguly, Padmaja D. Wakchaure, Shibaji Ghosh, 2020, The journal of physical chemistry. B.

THERMODYNAMIC VS. KINETIC CONTROL IN THE DIELS-ALDER CYCLOADDITION OF CYCLOPENTADIENE TO 2,3-DICYANO-P-BENZOQUINONE : KINETIC CONTROL REVISITED

B. Ganguly, A. P. Marchand, W. Watson, 1998 .

Experimental and theoretical investigations into the stereoselectivities of peracid promoted epoxidations of substituted norbornenes and norbornadienes

B. Ganguly, A. P. Marchand, W. Watson, 1999 .

Theoretical study of the molecular structure and spectroscopic properties of 1,7;3,5-dimethylene-cis-1,3,5,7-tetraazadecalin

B. Ganguly, O. Reany, B. Fuchs, 1999 .

Computational evidence that hyperconjugative orbital interactions are responsible for the stability of intramolecular Te⋯O/Te⋯S non-covalent interactions and comparable to hydrogen bonds in quasi-cyclic systems

M. K. Si, B. Ganguly, 2016 .

Can fused-pyrrole rings act as better π-spacer units than fused-thiophene in dye-sensitized solar cells? A computational study

Amitava Das, B. Ganguly, Abul Kalam Biswas, 2016 .

Role of backbones on the interaction of metal ions with deoxyribonucleic acid and peptide nucleic acid: A DFT study.

B. Ganguly, Surjit Bhai, 2019, Journal of molecular graphics & modelling.

What is the minimum number of water molecules required to dissolve a potassium chloride molecule?

Bishwajit Ganguly, Anik Sen, B. Ganguly, 2010, J. Comput. Chem..

Redox switchable NIR dye derived from ruthenium-dioxolene-porphyrin systems.

Amitava Das, B. Ganguly, A. Samanta, 2002, Chemical communications.

The origin and magnitude of intramolecular quasi-cyclic S⋯O and S⋯S interactions revisited: A computational study

M. K. Si, B. Ganguly, Rabindranath Lo, 2015 .

Probing the selective salt rejection behavior of thin film composite membranes: A DFT study

B. Ganguly, Rabindranath Lo, A. Bhattacharya, 2013 .

Oxazoline‐Based Organocatalyst for Enantioselective Strecker Reactions: A Protocol for the Synthesis of Levamisole.

B. Ganguly, Debashish Sahu, R. I. Kureshy, 2014 .

Remarkable effect of hydroxylamine anion towards the solvolysis of sarin: A DFT study

Manoj K. Kesharwani, B. Ganguly, T. Bandyopadhyay, 2010 .

Pentachlorophenol removal from water using surfactant-enhanced filtration through low-pressure thin film composite membranes.

B. Ganguly, K. M. Popat, H. Brahmbhatt, 2008, Journal of hazardous materials.

Role of pH in the stability of cytosine-cytosine mismatch and canonical AT and GC base pairs mediated with silver ion: a DFT study

B. Ganguly, Surjit Bhai, 2021, Structural Chemistry.

Influence of Formamide on the Crystal Habit of LiF, NaCl, and KI: A DFT and Aqueous Solvent Model Study

Manoj K. Kesharwani, B. Ganguly, Ajeet Singh, 2009 .

Does the position of the electron-donating nitrogen atom in the ring system influence the efficiency of a dye-sensitized solar cell? A computational study

Amitava Das, B. Ganguly, Abul Kalam Biswas, 2016, Journal of Molecular Modeling.

Design of Efficient Metal-Free Organic Dyes Having an Azacyclazine Scaffold as the Donor Fragment for Dye-Sensitized Solar Cells

Amitava Das, B. Ganguly, Anik Sen, 2014 .

Revealing the Mechanistic Pathway of Acid Activation of Proton Pump Inhibitors To Inhibit the Gastric Proton Pump: A DFT Study.

B. Ganguly, T. Bandyopadhyay, Kalyanashis Jana, 2016, The journal of physical chemistry. B.

Performance Study of Thin Film Composite Polyamide Membranes in Remediation of Nitro–phenols from Water

B. Ganguly, K. M. Popat, A. Bhattacharya, 2017 .

2D silicene nanosheets for the detection of DNA nucleobases for genetic biomarker: a DFT study

B. Ganguly, Surjit Bhai, 2023, Structural Chemistry.

Specific Reagent for Cr(III): Imaging Cellular Uptake of Cr(III) in Hct116 Cells and Theoretical Rationalization.

Amitava Das, S. Chattopadhyay, M. K. Si, 2015, The journal of physical chemistry. B.

Structural studies of PCU-hydrazones: NMR spectroscopy, X-ray diffractions, and DFT calculations

B. Ganguly, K. Mlinarić-Majerski, K. Molčanov, 2011 .

First principle study towards the influence of Cd2+ on the morphology of sodium chloride.

B. Ganguly, Ajeet Singh, Anik Sen, 2010, Journal of molecular graphics & modelling.

Can silicon substituted metal-free organic dyes achieve better efficiency compared to silicon free organic dyes? A computational study.

Amitava Das, B. Ganguly, Abul Kalam Biswas, 2015, Physical chemistry chemical physics : PCCP.

Role of the backbone of nucleic acids in the stability of Hg2+-mediated canonical base pairs and thymine–thymine mispair: a DFT study

B. Ganguly, Surjit Bhai, 2020, RSC advances.

Computational evidence for back donation in an N → O group based on modes of transmission of substituent effects in 3-(4′-substituted) phenylfuroxans

B. Ganguly, Rabindranath Lo, Moorkkannur N Sreerag, 2021, Journal of Chemical Sciences.

Stereoelectronic Control of Additions of Vinylmagnesium Bromide to 1-Methyland 3-Methylpentacyclo[5.4.0.02,6.03,10.05.9]undecane-8,11-diones and to 1-Methylhexacyclo[10.2.1.0.02,11.04,9.04,14.09,13]pentadeca-5,7-diene-3,10-dione

T. D. Power, S. Alihodžić, B. Ganguly, 2001 .

Dactylides A−C, three new bioactive 22-membered macrolides produced by Dactylosporangium aurantiacum

Yedukondalu Nalli, S. Ramalingam, B. Ganguly, 2023, The Journal of Antibiotics.

On the Origins of Diastereofacial Selectivity in Diels-Alder Cycloadditions

K. Morokuma, B. Ganguly, R. Froese, 1999 .

An alternative approach: a highly selective dual responding fluoride sensor having active methylene group as binding site.

Manoj K. Kesharwani, Amitava Das, B. Ganguly, 2012, Organic and biomolecular chemistry.

The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studies.

B. Ganguly, Rabindranath Lo, Shibaji Ghosh, 2016, Molecular bioSystems.

Probing the Structural and Electronic Effects on the Origin of π-Facial Stereoselectivity in 1-Methylphosphole 1-Oxide Cycloadditions and Cyclodimerization

B. Ganguly, Kalyanashis Jana, Surjit Bhai, 2018, ACS omega.

Recyclable Functionalized Material for Sensitive Detection and Exceptional Sorption of Hexavalent Chromium and Permanganate Ions with Biosensing Applications.

B. Ganguly, S. Chatterjee, A. R. Paital, 2021, ACS applied bio materials.

In silico studies on the origin of selective uptake of carbon dioxide with cucurbit[7]uril amorphous material

B. Ganguly, Debashish Sahu, 2015 .

Electron states of benzene. ..HCl and toluene. ..HCl hydrogen bonded complexes by ultraviolet photoelectron spectroscopy

M. S. Hegde, J. Chandrasekhar, S. Ananthavel, 1994 .

Exploiting the (–C–H···C–) Interaction to Design Cage-Functionalized Organic Superbases and Hyperbases: A Computational Study

B. Ganguly, Anusuya Saha, 2023, ACS omega.

Computational exploration of Cu(II)-en chelate-catalyzed hydrolysis of O-isopropyl methylphosphonofluoridate

B. Ganguly, Md Abdul Shafeeuulla Khan, Nellore Bhanuchander, 2023, Journal of Molecular Modeling.

Exploring the metal-free catalytic reduction of CO2 to methanol with saturated adamantane scaffolds of phosphine-borane frustrated Lewis pair: A DFT study.

B. Ganguly, T. Patel, 2022, Journal of molecular graphics & modelling.

In silico study on aging and reactivation processes of tabun conjugated AChE

Manoj K. Kesharwani, B. Ganguly, Rabindranath Lo, 2015 .