P. Tandon

发表

Preparation of Nanostructured Co3O4 and Ru-Doped Co3O4 and Their Applicability in Liquefied Petroleum Gas Sensing

Neetu Singh, Prabhat K. Singh, Mridula Singh, 2019, Journal of Materials Engineering and Performance.

Development and characterization of varying percentages of Ru-doped ZnO (xRu:ZnO; 1% ≤ x ≤ 5%) as a potential material for LPG sensing at room temperature

Neetu Singh, Prabhat K. Singh, Mridula Singh, 2020, Applied Physics A.

Structural and vibrational characteristics of a non-linear optical material 3-(4-nitrophenyl)-1-(pyridine-3-yl) prop-2-en-1-one probed by quantum chemical computation and spectroscopic techniques

A. Jayarama, Anthoni Praveen Menezes, P. Tandon, 2018, Journal of Molecular Structure.

Phase transitions in oleic acid as studied by X-ray diffraction and FT-Raman spectroscopy

R. Neubert, S. Wartewig, P. Tandon, 2000 .

Fabrication of Cu/Pd bimetallic nanostructures with high gas sorption ability towards development of LPG sensor

B. Yadav, Satyendra Singh, Archana Singh, 2015 .

Quantum-chemical approach to serine formation in the interstellar medium: A possible reaction pathway

P. Tandon, V. D. Gupta, V. Gupta, 2014 .

Comparative vibrational spectroscopic studies, HOMO–LUMO and NBO analysis of N-(phenyl)-2,2-dichloroacetamide, N-(2-chloro phenyl)-2,2-dichloroacetamide and N-(4-chloro phenyl)-2,2-dichloroacetamide based on density functional theory

P. Tandon, A. Gupta, N. Choudhary, 2013 .

Phonon dispersion in poly(l-arginine)

Poonam Sharma, Poonam Sharma, P. Tandon, 2002 .

Phonons and heat capacity of poly(L-leucine)

P. Tandon, S. Srivastava, V. D. Gupta, 1996 .

Heat capacity and normal modes of poly (L‐valine) in relation to spectra of oligovalines

P. Tandon, S. Srivastava, V. D. Gupta, 1996 .

Heat Capacity and Vibrational Dynamics of Poly(L-glutamic acid) (α Helix)

P. Tandon, S. Srivastava, V. D. Gupta, 1997 .

Vibrational dynamics and heat capacity of -poly( l-serine)

P. Tandon, V. D. Gupta, A. Gupta, 1997 .

Two-Dimensional Correlation Analysis of Temperature-Dependent FT-IR Spectra of Oleic Acid

H. Siesler, Soni Mishra, M. Unger, 2013 .

Fabrication of copper ferrite porous hierarchical nanostructures for an efficient liquefied petroleum gas sensor

Satyendra Singh, Archana Singh, P. Tandon, 2017 .

Synthesis, Characterization and Gas Sensing Capability of NixCu1−xFe2O4 (0.0 ≤ x ≤ 0.8) Nanostructures Prepared via Sol–Gel Method

Satyendra Singh, Archana Singh, R. Yadav, 2016, Journal of Inorganic and Organometallic Polymers and Materials.

Synthesis, characterization and performance of zinc ferrite nanorods for room temperature sensing applications

B. Yadav, Satyendra Singh, Archana Singh, 2015 .

Evaluation of non-covalent interactions of chlorambucil (monomer and dimer) and its interaction with biological targets: Vibrational frequency shift, electron density topological and automated docking analysis

P. Tandon, T. Karthick, K. Srivastava, 2017, Arabian Journal of Chemistry.

Fabrication and characterization of polyaniline, polyaniline/MgO(30%) and polyaniline/MgO(40%) nanocomposites for their employment in LPG sensing at room temperature

Neetu Singh, Satyendra Singh, Prabhat K. Singh, 2019, Journal of Materials Science: Materials in Electronics.

Computational evaluation on molecular stability, reactivity, and drug potential of frovatriptan from DFT and molecular docking approach

Keshav K. Singh, M. Chaudhary, P. Tandon, 2020 .

Molecular structure and hydrogen bond interactions of a paracetamol–4,4′-bipyridine cocrystal studied using a vibrational spectroscopic and quantum chemical approach

S. Velaga, P. Tandon, M. R. Shimpi, 2018 .

Molecular structure, spectroscopic signature and reactivity analyses of paracetamol hydrochloride monohydrate salt using density functional theory calculations

S. Velaga, A. Shukla, P. Tandon, 2018 .

Study of molecular interactions and chemical reactivity of the nitrofurantoin–3-aminobenzoic acid cocrystal using quantum chemical and spectroscopic (IR, Raman, 13C SS-NMR) approaches

A. Shukla, P. Tandon, K. Sinha, 2017 .

Differential Scanning Calorimetry, NBO and Hyperpolarizability Analysis of Yohimbine Hydrochloride

P. Tandon, Sudha Jain, B. Joshi, 2012 .

Competency of Certain Natural P roducts as Inhibitors for SARS-CoV-2: the In-silico Exploration

P. Tandon, Rajendra Singh, Anubha Srivastava, 2022 .

Synthesis, characterization, magnetic measurements and liquefied petroleum gas sensing properties of nanostructured cobalt ferrite and ferric oxide

B. Yadav, Satyendra Singh, Archana Singh, 2014 .

Theoretical Study of Possible Reaction Mechanisms for the Formation of Carbodiimide in the Interstellar Medium (ISM) and Polarizabilities of Carbodiimide

Shivani, P. Tandon, M. Yadav, 2019, Origins of Life and Evolution of Biospheres.

ab-Initio and DFT study of HCN: Role of temperature for the formation of HCN molecule in the interstellar medium

Shivani, P. Tandon, Rachana Singh, 2022, Journal of Molecular Structure.

Structural characterization, spectroscopic signatures, nonlinear optical response, and antioxidant property of 4-benzyloxybenzaldehyde and its binding activity with microtubule-associated tau protein

P. Tandon, T. Karthick, B. Narayana, 2017 .

Development of polyaniline/ZnO-Ru nanocomposite as a potential LPG sensing material operable at room temperature

Neetu Singh, Prabhat K. Singh, Mridula Singh, 2021, Journal of Materials Science: Materials in Electronics.

Quantum chemical study of a new reaction pathway for the adenine formation in the interstellar space

P. Tandon, Poonam Rawat, A. Singh, 2011 .

Study on the structure and vibrational spectra of efavirenz conformers using DFT: comparison to experimental data.

A. Ayala, Soni Mishra, P. Tandon, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic characterization and structural insights of 4-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl] phenyl 4-methylbenzene-1-sulfonate using vibrational, electronic spectra and quantum chemical calculations

P. Tandon, A. N. Prabhu, T. Karthick, 2021 .

Molecular structure (monomeric and dimeric) and hydrogen bonds in 5-benzyl 2-thiohydantoin studied by FT-IR and FT-Raman spectroscopy and DFT calculations.

P. Tandon, Amit Kumar, Anamika Sharma, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Development of a potential LPG sensor based on a PANI–Co3O4 nanocomposite that functions at room temperature

Neetu Singh, Prabhat K. Singh, Mridula Singh, 2019, New Journal of Chemistry.

Quantum chemical analysis for the formation of glycine in the interstellar medium

P. Tandon, A. Singh, Alka Misra, 2013 .

Nanostructured cobalt antimonate: a fast responsive and highly stable sensing material for liquefied petroleum gas detection at room temperature

Ashutosh Kumar Singh, B. Yadav, Satyendra Singh, 2020, RSC advances.

Theoretical Study on Formamide (NH2CHO) and Methylidene (CH2) Reactions for the Formation of Interstellar N-Methylformamide

P. Tandon, Alka Misra, Aftab Ahamad, 2022, Organic Chemistry Plus.

Spectroscopic and quantum chemical investigations to explore the effect of intermolecular interactions in a diuretic drug: Hydrochlorothiazide.

Rajni Chaudhary, P. Tandon, Venu R. Vangala, 2022, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Isomers of Biologically Active 2-Aminopyrimidinium Picrate through Intrinsic Reaction Coordinate Analysis and Spectroscopic Measurements

P. Tandon, T. Karthick, B. Narayana, 2021, Polycyclic Aromatic Compounds.

Formation of E-cyanomethamine in a nitrile rich environment

Shivani, P. Tandon, Alka Misra, 2017 .

Studies of molecular structure, hydrogen bonding and chemical activity of a nitrofurantoin-L-proline cocrystal: a combined spectroscopic and quantum chemical approach

S. Velaga, P. Tandon, M. R. Shimpi, 2016 .

Density fluctuation spectra in Ar36 fluid having number density 21, 5 and 2 nm-3

P. Tandon, P. Silotia, J. Sood, 2003 .

Synthesis and Characterization of Nanostructured Magnesium Oxide: Insight from Solid-State Density Functional Theory Calculations

Neetu Singh, A. Shukla, Satyendra Singh, 2016, Journal of Inorganic and Organometallic Polymers and Materials.

Heat capacity and vibrational dynamics of polyvinylidene fluoride (β-form)

P. Tandon, V. D. Gupta, P. Agarwal, 2011 .

A study of vibrational dynamics of poly (a-n-butyl-b-l-aspartate) (panbla)

Naresh Kumar, Anuj Kumar, P. Tandon, 2009 .

Vibrational dynamics of poly(L-tyrosine)

G. Bahuguna, P. Tandon, V. D. Gupta, 1997 .

Phonons in 72 helical poly(4-methyl-1-pentene)

G. Bahuguna, P. Tandon, V. D. Gupta, 1996 .

Phonon dispersion and specific heat in ω-helical poly-N∊(p-bromobenzoyl-l-ornithine)

P. Tandon, V. D. Gupta, A. Gupta, 1995 .

Heat capacity and phonons in ω-helical poly-L-phenylalanine

P. Tandon, S. Srivastava, V. D. Gupta, 1995 .

Quantum chemical and experimental studies on the structure and vibrational spectra of substituted 2-pyranones

P. Tandon, V. Gupta, Deepika Chaturvedi, 2011 .

DFT study of structure and vibrational spectra of ceramide 3: comparison to experimental data

Soni Mishra, P. Tandon, 2012 .

Computational approaches to find the active binding sites of biological targets against busulfan

P. Tandon, T. Karthick, 2016, Journal of Molecular Modeling.

Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile.

Soni Mishra, P. Tandon, P. Agarwal, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic and quantum chemical study on a non-linear optical material 4-[(1E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-en-1-yl] phenyl4-methylbenzene-1-sulfonate

Rajesh Kumar, P. Tandon, Debraj Gangopadhyay, 2022, Journal of Molecular Structure.

Vibrational analysis and chemical activity of paracetamol–oxalic acid cocrystal based on monomer and dimer calculations: DFT and AIM approach

S. Velaga, P. Tandon, M. R. Shimpi, 2016 .

Nitrogen donor ligand for capping ZnS quantum dots: a quantum chemical and toxicological insight

Keshav K. Singh, I. Hwang, G. Pandey, 2019, RSC advances.

Structural, electronic, thermodynamical and charge transfer properties of Chloramphenicol Palmitate using vibrational spectroscopy and DFT calculations.

P. Tandon, Anamika Sharma, R. Mishra, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational dynamics and phonon dispersion in poly(β-benzyl-L-aspartate) (β-sheet)

P. Tandon, V. D. Gupta, S. Rastogi, 2001 .

Vibrational Dynamics of Poly(L-glutamic acid) (β2 Form)

P. Tandon, S. Srivastava, V. D. Gupta, 1997 .

Conformational Study of α Poly(L-valine). A Vibrational Approach

P. Tandon, V. D. Gupta, S. Rastogi, 1996 .

Normal Modes and Their Dispersion in α Poly(β-benzyl-L-aspartate)

P. Tandon, V. D. Gupta, S. B. Katti, 1996 .

Heat capacity and phonons in poly(L-leucine)

P. Tandon, S. Srivastava, V. D. Gupta, 1995 .

Normal Modes of Poly(L-valine) in Relation to Spectra of Oligovalines

P. Tandon, S. Srivastava, V. D. Gupta, 1995 .

Density functional theory studies on the structure, spectra (FT-IR, FT-Raman, and UV) and first order molecular hyperpolarizability of 2-hydroxy-3-methoxy-N-(2-chloro-benzyl)-benzaldehyde-imine: Comparison to experimental data

P. Tandon, P. Agarwal, A. Gupta, 2013 .

Molecular structure and vibrational spectroscopic investigation of 4-chloro-4′dimethylamino-benzylidene aniline using density functional theory

Anuj Kumar, P. Tandon, Sapna Pathak, 2010 .

Phonon dispersion and heat capacity of polydichlorobutadiene

P. Tandon, V. D. Gupta, A. Gupta, 2010 .

Vibrational dynamics and heat capacity of poly(l-ornithine)

P. Tandon, Poonam Tandon, Vishwambhar Dayal Gupta, 2002 .

Normal modes and their dispersion in poly(α-isobutyl, β-l-aspartate): II. 13/4 Helix

S. Muñoz-Guerra, Anuj Kumar, P. Tandon, 2001 .

Normal modes and their dispersion in poly(a-isobutyl, - l-aspartate)

S. Muñoz-Guerra, Anuj Kumar, P. Tandon, 2001 .

Vibrational Dynamics and Heat Capacity of Poly(L-lysine)

P. Tandon, Poonam Tandon, Vishwambhar Dayal Gupta, 1997 .

Phonons and their dispersion in poly(S‐benzyl‐L‐cysteine)

P. Tandon, V. D. Gupta, N. Misra, 1999 .

Phonon Dispersion in ? Helical Poly N e ( p -Bromobenzoyl-L-Ornithine)

P. Tandon, V. D. Gupta, A. Gupta, 1995 .

Phonon dispersion in poly(α-aminoisobutyric acid)

P. Tandon, V. D. Gupta, O. Prasad, 1995 .

Phonon Dispersion in Poly( α-Aminoisobutyric Acid)

P. Tandon, V. D. Gupta, O. Prasad, 1995 .

Vibrational Dynamics of Poly(l-asparagine)

P. Tandon, V. D. Gupta, N. Misra, 2010 .

Phonon Dispersion and Heat Capacity in β-Sheet Poly(L-alanine)

P. Tandon, V. D. Gupta, V. Saxena, 2005 .

Phonon dispersion and heat capacity in cross-β form of poly(O-acetyl, L-serine)

P. Tandon, Poonam Tandon, Vishwambhar Dayal Gupta, 2000 .

Vibrational dynamics and heat capacity of syndiotactic poly(4-methyl-1-pentene)

Anuj Kumar, P. Tandon, V. D. Gupta, 2001 .

Phonon dispersion and heat capacity of poly(l-aspartic acid)

P. Tandon, Poonam Tandon, Vishwambhar Dayal Gupta, 1998 .

Heat capacity and phonon dispersion in poly (L-methionine)

P. Tandon, V. D. Gupta, O. Prasad, 1997 .

Drug binding and order-order and order-disorder transitions in DNA triple helices

P. Tandon, V. D. Gupta, S. B. Katti, 1999 .

Study of molecular structure and hydrogen bond interactions in dipfluzine-benzoic acid (DIP-BEN) cocrystal using spectroscopic and quantum chemical method.

P. Tandon, Jing Wang, K. Sinha, 2019, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, characterization and liquefied petroleum gas sensing of cobalt acetylenedicarboxylate and its polymer

G. Dzhardimalieva, B. Yadav, Satyendra Singh, 2014 .

Spectroscopic and quantum chemical study of an alkaloid aristolochic acid I.

P. Tandon, V. Gupta, Sudha Jain, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Solid state characterization of an antioxidant alkaloid boldine using vibrational spectroscopy and quantum chemical calculations

A. Ayala, P. Tandon, Sudha Jain, 2011 .

Vibrational Dynamics and Heat Capacity in Polydichlorophosphazene (PDCP)

A. Mishra, P. Tandon, V. D. Gupta, 2007 .

Phase transition and specific heat anomaly in B⇄Z and other conformational transitions in poly(dG-dC)

P. Tandon, D. Gupta, V. D. Gupta, 1992 .

Thermodynamic Anomaly and Transitions in Various States of Poly (dG-dC)

P. Tandon, D. Gupta, V. D. Gupta, 1992 .

First Principal Study of Interaction of Copper Doped Gold Nanoclusters with Glycine

Rajni Chaudhary, P. Tandon, A. Yadav, 2023, Inorganic Chemistry Communications.

Study of vibrational spectra and molecular structure of intermolecular hydrogen bonded 2-thiohydantoin using Density Functional Theory

P. Tandon, Anamika Sharma, V. D. Gupta, 2011 .

Molecular structure, nonlinear optical studies and spectroscopic analysis of chalcone derivative (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one by DFT calculations

E. D. D'Silva, P. Tandon, Amit Kumar, 2017 .

X-ray diffraction and spectroscopic studies of oleic acid-sodium oleate.

R. Neubert, S. Wartewig, P. Tandon, 2001, Chemistry and physics of lipids.

Thermotropic phase behaviour of sodium oleate as studied by FT-Raman spectroscopy and X-ray diffraction

R. Neubert, S. Wartewig, P. Tandon, 2000 .

Vibrational dynamics of polyaniline pernigraniline base form: A conducting polymer

A. Mishra, P. Tandon, V. D. Gupta, 2008 .

Characterization and intramolecular bonding patterns of busulfan: Experimental and quantum chemical approach.

P. Tandon, T. Karthick, P. Agarwal, 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Experimental and theoretical (FT-IR, FT-Raman, UV-vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material: (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one using density functional theory.

E. D. D'Silva, P. Tandon, Amit Kumar, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, characterization, magnetic properties and gas sensing applications of ZnxCu1−xFe2O4 (0.0≤x≤0.8) nanocomposites

B. Yadav, Satyendra Singh, Archana Singh, 2014 .

Structural insights, protein-ligand interactions and spectroscopic characterization of isoformononetin

K. Dev, P. Tandon, Harshita Singh, 2017 .

Molecular structure, spectral investigation (1H NMR, 13C NMR, UV–Visible, FT-IR, FT-Raman), NBO, intramolecular hydrogen bonding, chemical reactivity and first hyperpolarizability analysis of formononetin [7-hydroxy-3(4-methoxyphenyl)chromone]: A quantum chemical study

K. Dev, P. Tandon, Sudhir Kumar, 2015 .

Molecular structure and vibrational spectra of N‐acetylglycine oligomers and polyglycine I using DFT approach

P. Tandon, A. Gupta, N. Choudhary, 2014, Biopolymers.

Fabrication of self-assembled hierarchical flowerlike zinc stannate thin film and its application as liquefied petroleum gas sensor

B. Yadav, S. Rasool, Satyendra Singh, 2014 .

Spectroscopic (FT-IR, FT-Raman, and 13C SS-NMR) and quantum chemical investigations to provide structural insights into nitrofurantoin–4-hydroxybenzoic acid cocrystals

A. Shukla, P. Tandon, Venu R. Vangala, 2019, New Journal of Chemistry.

Nitrofurantoin-melamine monohydrate (cocrystal hydrate): Probing the role of H-bonding on the structure and properties using quantum chemical calculations and vibrational spectroscopy.

A. Shukla, P. Tandon, Venu R. Vangala, 2019, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Study of molecular structure, chemical reactivity and H-bonding interactions in the cocrystal of nitrofurantoin with urea

Richard Telford, A. Ayala, A. Shukla, 2017 .

Structural and Reactivity Analyses of Nitrofurantoin–4-dimethylaminopyridine Salt Using Spectroscopic and Density Functional Theory Calculations

A. Shukla, P. Tandon, Debraj Gangopadhyay, 2019, Crystals.

A computational study on molecular structure, multiple interactions, chemical reactivity and molecular docking studies on 6[D (−) α-amino-phenyl-acetamido] penicillanic acid (ampicillin)

A. Shukla, P. Tandon, K. Sinha, 2016 .

Study of vibrational spectra and hydrogen bonding network in dimeric and tetrameric model of ampicillin using DFT and AIM approach

A. Shukla, P. Tandon, K. Sinha, 2017 .

Phase transition analysis of V-shaped liquid crystal: Combined temperature-dependent FTIR and density functional theory approach.

P. Tandon, Harshita Singh, T. Karthick, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Temperature-dependent infrared study of phase transitions in bent-core liquid crystalline compound 12O(OH)2MeO10

A. Ayala, P. Tandon, Harshita Singh, 2017 .

Study of Cr→SmA phase transition and hydrogen bonding in four-ring bent-core liquid crystal.

A. Ayala, P. Tandon, Harshita Singh, 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A combined experimental and theoretical approach to study SmC → NcybC phase transition in a four-ring bent-core liquid crystal

A. Ayala, P. Tandon, Harshita Singh, 2016 .

Phonon dispersion in poly(L-tryptophan)

P. Tandon, V. D. Gupta, S. Pande, 2004 .

Vibrational dynamics of syndiotactic poly(1-butene)

Poonam Sharma, P. Tandon, V. D. Gupta, 2000 .

Raman spectroscopic characterization of different regioisomers of monoacyl and diacyl chlorogenic acid

Soni Mishra, A. Materny, P. Tandon, 2012 .

Quantum chemical calculations of conformation, vibrational spectroscopic, electronic, NBO and thermodynamic properties of 2,2-dichloro-N-(2,3-dichlorophenyl) acetamide and 2,2-dichloro-N-(2,3-dichlorophenyl) acetamide

P. Tandon, P. Agarwal, A. Gupta, 2014 .

A comparative computational study on molecular structure, NBO analysis, multiple interactions, chemical reactivity and first hyperpolarisability of imatinib mesylate polymorphs using DFT and QTAIM approach

P. Tandon, R. Mishra, V. Gupta, 2014 .

Reaction Between CH2 and HCCN: A Theoretical Approach to Acrylonitrile Formation in the Interstellar Medium

P. Tandon, Alka Misra, Shivani, 2014, Origins of Life and Evolution of Biospheres.

Theoretical approach to study the formation of C2H4O2 isomers in interstellar medium through reaction between interstellar formaldehyde molecules

Shivani, P. Tandon, Aftab Ahmad, 2020, Research in Astronomy and Astrophysics.

Electro-Optical Parameters for Computation of Nonresonance Raman Scattering Intensities of Peptides.

D. Bougeard, P. Tandon, V. Gupta, 2009, Journal of chemical theory and computation.

Formation of aminomethanol in ammonia-water interstellar ice

Rajesh Kumar, S. Shivani, P. Tandon, 2021 .

Molecular structure, vibrational spectra and HOMO, LUMO analysis of yohimbine hydrochloride by density functional theory and ab initio Hartree-Fock calculations.

P. Tandon, Sudha Jain, B. Joshi, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Formation of cyanoallene (buta-2, 3-dienenitrile) in the interstellar medium: a quantum chemical and spectroscopic study

P. Tandon, A. Singh, Alka Misra, 2014 .

Experimental and Quantum Chemical Studies of Nicotinamide-Oxalic Acid Salt: Hydrogen Bonding, AIM and NBO Analysis

P. Tandon, M. R. Shimpi, Priya Verma, 2022, Frontiers in Chemistry.

Molecular Structure, Spectral Investigations, Hydrogen Bonding Interactions and Reactivity-Property Relationship of Caffeine-Citric Acid Cocrystal by Experimental and DFT Approach

P. Tandon, M. R. Shimpi, K. Srivastava, 2021, Frontiers in Chemistry.

Vibrational spectra, hydrogen bonding interactions and chemical reactivity analysis of nicotinamide–citric acid cocrystals by an experimental and theoretical approach

A. Shukla, P. Tandon, M. R. Shimpi, 2019, New Journal of Chemistry.

Collective dynamics of liquid alkali metals Cs and Rb

P. Tandon, J. Sood, S. P. Tewari, 2001 .

Density fluctuation spectra of expanded liquid 85Rb at different temperatures

P. Tandon, J. Sood, S. P. Tewari, 2001 .

Phonon dispersion in poly(dimethylsilane)

P. Tandon, Ruchi Agarwal, Poonam Tandon, 2006 .

Spectroscopic, quantum chemical calculation and molecular docking of dipfluzine

P. Tandon, Jing Wang, K. Sinha, 2016 .

Quantum chemical studies of structural, vibrational, NBO and hyperpolarizability of ondansetron hydrochloride

A. Ayala, P. Tandon, R. Mishra, 2014 .

Non-covalent interactions and spectroscopic study of chalcone derivative 1-(4-chlorophenyl)-3-(5-methylfuran-2-yl) prop-2-en-1-one

P. Tandon, J. Jamalis, K. Srivastava, 2020 .

Vibrational Dynamics and Heat Capacity of Syndiotactic Poly(Methyl Methacrylate)

P. Tandon, Poonam Tandon, Ashika Jain, 2006 .

Frontal polymerization of acrylamide complex with nanostructured ZnS and PbS: Their characterizations and sensing applications

G. Dzhardimalieva, B. Yadav, Satyendra Singh, 2015 .

Vibrational dynamics of gamma form of nylon 6 (γNY6)

S. Shukla, Naresh Kumar, P. Tandon, 2010 .

Evaluation of Structural Isomers, Molecular Interactions, Reactivity Descriptors, and Vibrational Analysis of Tretinoin

P. Tandon, T. Karthick, Swapnil Singh, 2017, Analytical Sciences.

Multistep transitions in collagens

P. Tandon, V. D. Gupta, N. Misra, 1998 .

Physicochemical and Pharmacokinetic Analysis of Anacardic Acid Derivatives

P. Tandon, F. Zafar, Anujit Ghosal, 2020, ACS omega.

Drug Binding, Order-Order and Order-Disorder Transitions in DNA Triple Helices

P. Tandon, S. Srivastava, V. D. Gupta, 1998 .

Vibrational Dynamics and Heat Capacity of Trans‐1,4‐Polyisoprene (α‐Form)

P. Tandon, V. D. Gupta, R. Agarwal, 2007 .

Vibrational dynamics of trans-1,4-polyisoprene (β-form)

P. Tandon, V. D. Gupta, V. Saxena, 2006 .

Coherent dynamics of molten potassium

P. Tandon, P. Silotia, J. Sood, 2016 .

Molecular interactions and vibrational properties of ricobendazole: Insights from quantum chemical calculation and spectroscopic methods

A. Ayala, M. Chaudhary, P. Tandon, 2021 .

Molecular structure and quantum descriptors of cefradine by using vibrational spectroscopy (IR and Raman), NBO, AIM, chemical reactivity and molecular docking.

A. Ayala, M. Chaudhary, P. Tandon, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structural reactivity analyses of a neoflavonoid 4-methoxydalbergione using vibrational spectroscopy and quantum chemical calculations

Shweta, P. Tandon, Purnima Bharti, 2019, Journal of Molecular Structure.

Vibrational Dynamics and Heat Capacity of Polyacetylene

Anuj Kumar, P. Tandon, V. D. Gupta, 2000 .

Combine experimental and theoretical investigation on an alkaloid–Dimethylisoborreverine

P. Tandon, Harshita Singh, T. Karthick, 2016 .

Assessment of nonlinear optical response of 3-(4-chlorophenyl)-1-(pyridin-3-yl) prop-2-en-1-one based on Quantum chemical computations with different functional and basis sets

A. Jayarama, P. Tandon, R. Kumar, 2017 .

Structural and spectroscopic studies on 2-pyranones.

V. P. Gupta, V. Ram, P. Tandon, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A theoretical study on molecular structure, chemical reactivity and molecular docking studies on dalbergin and methyldalbergin

Shweta, P. Tandon, R. Maurya, 2019, Journal of Molecular Structure.

Spectroscopic and theoretical studies of dalbergin and Methyldalbergin

Shweta, P. Tandon, Purnima Bharti, 2018 .

Intermolecular charge transfer and vibrational analysis of hydrogen bonding in acetazolamide.

P. Tandon, Anamika Sharma, V. Gupta, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Study of molecular structure and vibrational spectra of poly (β,-l-malic acid) [PMLA] using DFT approach

S. Muñoz-Guerra, Soni Mishra, J. Portilla-Arias, 2012 .

An ab initio and DFT study of structure and vibrational spectra of gamma form of oleic acid: comparison to experimental data.

H. Siesler, Naresh Kumar, Soni Mishra, 2010, Chemistry and physics of lipids.

Combined spectroscopic and quantum chemical approach to study the effect of hydrogen bonding interactions in ezetimibe.

P. Tandon, K. Sinha, J. Pandey, 2019, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structural and spectroscopic analysis of indole alkaloids: Molecular docking and DFT approach

P. Tandon, Harshita Singh, P. Agarwal, 2018 .

Experimental and quantum chemical studies on the structure and vibrational spectra of cearoin (a neoflavonoid)

Shweta, P. Tandon, Purnima Bharti, 2017 .

Study of hydrogen-bonding, vibrational dynamics and structure-activity relationship of genistein using spectroscopic techniques coupled with DFT

K. Dev, P. Tandon, Harshita Singh, 2017 .

Combined spectroscopic and quantum chemical studies of ezetimibe

S. Velaga, P. Tandon, M. R. Shimpi, 2016 .

Conformational analysis and vibrational study of daidzein by using FT-IR and FT-Raman spectroscopies and DFT calculations.

P. Tandon, Harshita Singh, Purnima Bharti, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Antagonistic properties of a natural product-Bicuculline with the gamma-aminobutyric acid receptor: studied through electrostatic potential mapping, electronic and vibrational spectra using ab initio and density functional theory.

P. Tandon, B. P. Asthana, Sudha Jain, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A stable and highly sensitive room-temperature liquefied petroleum gas sensor based on nano-cubes/cuboids of zinc antimonate

Ashutosh Kumar Singh, Satyendra Singh, P. Tandon, 2020, RSC advances.

Phonon dispersion and specific heat in trans 1,4, poly (2,3-dimethylbutadiene)

P. Tandon, V. D. Gupta, P. Agarwal, 2011 .

Vibrational dynamics and heat capacity of polychloroprene

P. Tandon, V. D. Gupta, P. Agarwal, 2011 .

Fabrication of nanostructured MgO and Zn-doped MgO as an efficient LPG sensing materials operable at room temperature

Neetu Singh, Prabhat K. Singh, Mridula Singh, 2021, Applied Physics A.

Co-doped ZnO nanostructures for liquefied petroleum gas sensing at room temperature

Mridula Singh, P. Tandon, Saurabh Singh, 2023, Journal of Materials Science: Materials in Electronics.

Nickel antimony oxide (NiSb2O6): A fascinating nanostructured material for gas sensing application

Satyendra Singh, P. Tandon, A. Singh, 2016 .

Synthesis of Nanostructured Cobalt Titanate and Its Application as Liquefied Petroleum Gas Sensor at Room Temperature

B. Yadav, P. Tandon, T. Shukla, 2011 .

Structure and vibrational spectra of some 8-oxa[5]helicenes.

V. P. Gupta, Soni Mishra, P. Tandon, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Quantum chemical and experimental studies on the structure and vibrational spectra of efavirenz

H. Siesler, A. Ayala, Soni Mishra, 2010 .

Conformational Study and Vibrational Spectroscopic (FT-IR and FT-Raman) Analysis of an Alkaloid-Borreverine Derivative.

P. Tandon, Harshita Singh, T. Karthick, 2017, Analytical sciences : the international journal of the Japan Society for Analytical Chemistry.

Phonon Dispersion and Heat Capacity in Microbial Poly(ε-L-lysine)(M-ε-PL)

A. Mishra, P. Tandon, V. D. Gupta, 2008 .

A comparative study of vibrational dynamics of α- and β-forms of poly(β-hydroxybutyrate)

H. Siesler, Soni Mishra, P. Tandon, 2011 .

An efficient room-temperature liquefied petroleum gas sensor based on trirutile copper antimonate nano-polygons

Satyendra Singh, P. Tandon, A. Singh, 2020 .

Experimental investigations on liquefied petroleum gas sensing of Cd(NO3)2·(AAm)4·2H2O and CdS/polyacrylamide synthesized via frontal polymerization

G. Dzhardimalieva, B. Yadav, Satyendra Singh, 2011 .

Polymer-assisted synthesis of metallopolymer nanocomposites and their applications in liquefied petroleum gas sensing at room temperature

G. Dzhardimalieva, B. Yadav, Satyendra Singh, 2012 .

Spectroscopic (far or terahertz, mid-infrared and Raman) investigation, thermal analysis and biological activity of piplartine.

J. Ellena, A. Ayala, P. Tandon, 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Heat capacity and phonon dispersion in polyselenophene in relation to the spectra of oligoselenophenes

P. Tandon, V. D. Gupta, P. Agarwal, 2012 .

Study of polymorphism in imatinib mesylate: a quantum chemical approach using electronic and vibrational spectra.

A. Bansal, A. Ayala, P. Tandon, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Ab-Initio Simulation of the Interaction of Gold Nanoclusters with Glycine

P. Tandon, Rajesh Kumar, K. Singh, 2022, Journal of Molecular Structure.

Structural insights, spectral and H-bond analyses, of nitrofurantoin-phenazine cocrystal and comparison of its chemical reactivity with other nitrofurantoin cocrystals

A. Shukla, P. Tandon, Venu R. Vangala, 2022 .

Study of phase transitions in a bent-core liquid crystal probed by infrared spectroscopy

A. Ayala, P. Tandon, S. Debnath, 2016 .

Normal mode analysis of γ form of oleic acid

S. Wartewig, P. Tandon, V. D. Gupta, 2006 .

Normal Modes and Their Dispersion in α Form of Nylon-6 (αNY6)

S. Shukla, Naresh Kumar, A. Mishra, 2007 .

Molecular structure, spectroscopic (FT-IR, FT Raman, UV, NMR and THz) investigation and hyperpolarizability studies of 3-(2-Chloro-6-fluorophenyl)-1-(2-thienyl) prop-2-en-1-one

P. Tandon, Amit Kumar, P. Deshmukh, 2017 .

Structural analysis of nanostructured iron antimonate by experimental and quantum chemical simulation and its LPG sensing

B. Yadav, A. Singh, Satyendra Singh, 2014 .

Quantum chemical study on the formation of isopropyl cyanide and its linear isomer in the interstellar medium

Shivani, Keshav K. Singh, P. Tandon, 2020, International Journal of Astrobiology.

A theoretical quantum chemical study of alanine formation in interstellar medium

Shivani, P. Tandon, Alka Misra, 2017 .

Study of conformational stability, structural, electronic and charge transfer properties of cladrin using vibrational spectroscopy and DFT calculations.

P. Tandon, Harshita Singh, Purnima Bharti, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

The reaction between CH 3 CN and HCOOH: A possible chemical process of Alanine formation in interstellar medium

P. Tandon, A. Singh, Alka Misra, 2012 .

Monitoring structural fluctuations of discotic liquid crystal during phase transitions.

Rajni Chaudhary, P. Tandon, V. Prasad, 2023, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular Structure, Hydrogen Bonding Interactions and Docking Simulations of Nicotinamide (Monomeric and Trimeric Models) by Using Spectroscopy and Theoretical Approach

P. Tandon, M. R. Shimpi, Priya Verma, 2023, Polycyclic Aromatic Compounds.

Spectroscopic and molecular structure (monomeric and dimeric model) investigation of Febuxostat: A combined experimental and theoretical study.

A. Bansal, A. Ayala, P. Tandon, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Tip enhanced Raman spectroscopy, DFT and PED calculations of 4″-trimethylsilylethylsulfanyl-4,4′-di(phenyleneethynylene)benzene thiol adsorbed on silver

Soni Mishra, S. Prokes, O. Glembocki, 2015 .

Reaction Between CH2 and HCCN: A Theoretical Approach to Acrylonitrile Formation in the Interstellar Medium

Shivani, P. Tandon, Alka Misra, 2014, Origins of Life and Evolution of Biospheres.

Some new reaction pathways for the formation of cytosine in interstellar space – A quantum chemical study

P. Tandon, Priti Mishra, V. Gupta, 2013 .

nStructural properties of a novel heterocyclic chalcones derivative, (E)-3-(5-methyl furan-2-yl)-1-phenyl prop-2-en-1-one: a spectroscopic and DFT perception

P. Tandon, J. Jamalis, S. Shukla, 2021, Journal of Molecular Structure.

An Investigation of nonlinear optical properties, electronic behaviour and structure-NLO relation of 1,3-Bis(3,4-dimethoxyphenyl)prop-2-en-1-one : A theoretical and computational study

P. Tandon, R. Kumar, Praful S. Patil, 2017 .

Conformational and vibrational studies of isomeric hydrogen cyanide tetramers by quantum chemical methods.

V. P. Gupta, P. Tandon, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Formation of 2-imino-malononitrile and diaminomaleonitrile in nitrile rich environments: A quantum chemical study

P. Tandon, Poonam Rawat, V. Gupta, 2012 .

Experimental (FT-IR, FT-Raman, NMR) and theoretical spectroscopic properties of intermolecular hydrogen bonded 1-acetyl-2-thiohydantoin polymorphs.

P. Tandon, Anamika Sharma, S. Maeda, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectroscopic, NBO, AIM, and multiwfn study of tectorigenin: A DFT approach

P. Tandon, R. Maurya, P. Kumar, 2020 .

Molecular structure, spectral analysis and hydrogen bonding analysis of ampicillin trihydrate: a combined DFT and AIM approach

Shweta, A. Shukla, P. Tandon, 2015 .

A comparative ab initio and DFT study of polyaniline leucoemeraldine base and its oligomers.

A. Mishra, P. Tandon, 2009, The journal of physical chemistry. B.

Insights into structural, spectroscopic, and hydrogen bonding interaction patterns of nicotinamide–oxalic acid (form I) salt by using experimental and theoretical approaches

P. Tandon, M. R. Shimpi, Priya Verma, 2023, Frontiers in Chemistry.

A combined experimental (IR, Raman and UV-Vis) and quantum chemical study of canadine.

A. Ayala, P. Tandon, Sudha Jain, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Quantum chemical and experimental studies on the structure and vibrational spectra of an alkaloid--Corlumine.

P. Tandon, R. Mishra, Sudha Jain, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Use of vibrational spectroscopy to study 2-[4-(N-dodecanoylamino)phenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole: a combined theoretical and experimental approach.

P. Tandon, P. Agarwal, S. Bee, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Study of molecular structure, vibrational, electronic and NMR spectra of oncocalyxone A using DFT and quantum chemical calculations.

A. Ayala, P. Tandon, P. Fechine, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-Raman, FT-IR, UV spectroscopic, NBO and DFT quantum chemical study on the molecular structure, vibrational and electronic transitions of clopidogrel hydrogen sulfate form 1: a comparison to form 2.

A. Bansal, P. Tandon, R. Mishra, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure, vibrational spectroscopic, NBO and HOMO–LUMO studies of 2-amino 6-bromo 3-formylchromone

Soni Mishra, P. Tandon, N. Choudhary, 2012 .

Molecular structure and vibrational spectroscopic analysis of an antiplatelet drug; clopidogrel hydrogen sulphate (form 2) – A combined experimental and quantum chemical approach

A. Bansal, H. Siesler, A. Ayala, 2010 .

Vibrational spectroscopic investigation of poly(p‐phenylene sulfide)

S. Shukla, Naresh Kumar, P. Tandon, 2009 .

A computational study on conformational geometries, chemical reactivity and inhibitor property of an alkaloid bicuculline with γ-aminobutyric acid (GABA) by DFT

P. Tandon, Poonam Rawat, R. N. Singh, 2012 .

Preparation and characterization of nanocrystalline nickel ferrite thin films for development of a gas sensor at room temperature

B. Yadav, Satyendra Singh, P. Tandon, 2016, Journal of Materials Science: Materials in Electronics.

Growth of zinc ferrite aligned nanorods for liquefied petroleum gas sensing

Satyendra Singh, Archana Singh, R. Yadav, 2014 .

Vibrational Dynamics of Poly(β-hydroxybutyrate)-α Form

H. Siesler, Soni Mishra, P. Tandon, 2009 .

Thermal degradation and theoretical interpretation of vibrational spectra of poly (β,l-malic acid)

S. Muñoz-Guerra, Soni Mishra, J. Portilla-Arias, 2011 .

Vibrational dynamics and heat capacity in poly(L‐lactic acid)

Vikash Porwal, P. Tandon, V. D. Gupta, 2010 .

Phonon dispersion and heat capacity in polyoxacyclobutane modification I

P. Tandon, C. Nautiyal, Deepika Chaturvedi, 2011 .

Molecular structure and vibrational spectroscopic investigation of secnidazole using density functional theory.

V. P. Gupta, H. Siesler, A. Ayala, 2009, The journal of physical chemistry. A.

Dispersion of normal modes in cis 1,4 polybutadiene

P. Tandon, V. D. Gupta, S. Rastogi, 1997 .

A novel approach to design febuxostat-salicylic acid eutectic system: evaluation and characterization

A. Bansal, A. Ayala, P. Tandon, 2019, CrystEngComm.

Spectroscopic and quantum chemical analysis of a natural product – Hayatin hydrochloride

P. Tandon, R. Mishra, Sudha Jain, 2015 .

Monitoring the in Vitro Thiazolidine Ring Formation of Antioxidant Drug N-Acetyl-l-cysteine at Basic pH and Detection of Reaction Intermediates: A Raman Spectroscopic and Ab Initio Study.

Keshav K. Singh, R. Singh, Poornima Sharma, 2018, The journal of physical chemistry. B.

Simplified risk stratification criteria for identification of patients with MRSA bacteremia at low risk of infective endocarditis: implications for avoiding routine transesophageal echocardiography in MRSA bacteremia

W. Qureshi, M. Zervos, K. Ananthasubramaniam, 2015, European Journal of Clinical Microbiology & Infectious Diseases.

DFT study and heat capacity of polyaniline pernigraniline base.

P. Tandon, A. Mishra, 2009, The journal of physical chemistry. B.

A. Bansal, P. Tandon, R. Mishra, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, characterization and theoretical interpretation of vibrational spectra of poly(2-methylbut-2-enyl thiophene-3-carboxylate)

B. Kiskan, Y. Yagcı, Anuj Kumar, 2010 .

Molecular vibrations and normal modes in L-prolyl-glycyl-glycine using Wilson GF matrix method.

Anuj Kumar, P. Tandon, Vineeta Gupta, 2007, Indian journal of biochemistry & biophysics.

Phonon dispersion and heat capacity in poly(ε-caprolactone)

P. Tandon, V. D. Gupta, R. Misra, 2004 .

Phonon Dispersion in 1,4-cis-Poly-(2-Methyl-1,3-Pentadiene)

P. Tandon, V. D. Gupta, N. Misra, 2000 .

Heat capacity and vibrational dynamics of α poly(β-benzyl-L-aspartate)

P. Tandon, V. D. Gupta, O. Prasad, 1996 .

Phonon dispersion and heat capacity in microbial poly(epsilon-L-lysine)(M-epsilon-PL)

P. Tandon, V. D. Gupta, K. Kunimoto, 2008 .

Structure and vibrational spectra of some 8-oxa[5]helicenes.

V. P. Gupta, Soni Mishra, P. Tandon, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A spectroscopic study of various conformational states of poly(β-benzyI, L-aspartate)

P. Tandon, V. D. Gupta, N. Misra, 1999 .

Computational evaluation on molecular stability and binding affinity of methyldopa against Lysine-specific demethylase 4D Enzyme through quantum chemical computations and molecular docking analysis

P. Tandon, T. Karthick, B. Joshi, 2023, Journal of Molecular Structure.

Conformation and phonon dispersion in trans-1,4-polybutadiene

P. Tandon, V. D. Gupta, S. Rastogi, 1998 .

Computational Evaluation on Molecular Stability and Binding Affinity of Methyldopa Against Lysine-Specific Demethylase 4d Enzyme Through Quantum Chemical Computations and Molecular Docking Analysis

P. Tandon, T. Karthick, B. Joshi, 2022, SSRN Electronic Journal.

Vibrational spectroscopy and density functional theory analysis of 3-O-caffeoylquinic acid.

Soni Mishra, A. Materny, P. Tandon, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

N-Acetylcysteine versus arsenic poisoning: A mechanistic study of complexation by molecular spectroscopy and density functional theory

Rajeev Kumar Sinha, R. Singh, M. Das, 2021 .