Ganga Periyasamy

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Influence of explicit water molecules on the charge migration dynamics of peptidomimetics: a DFT study

Sherin Joy, Ganga Periyasamy, 2020, Theoretical Chemistry Accounts.

Computational studies on ground and excited state charge transfer properties of peptidomimetics.

V. Sureshbabu, Sherin Joy, Ganga Periyasamy, 2018, Faraday discussions.

Density functional theoretical studies on photoswitching and charge migration dynamics of thio and selenoureidopeptides

V. Sureshbabu, Sherin Joy, Ganga Periyasamy, 2017 .

Density functional theoretical studies on electronic structural, optical and oxidation properties of thioxylated peptides

V. Sureshbabu, Sherin Joy, Ganga Periyasamy, 2017, Theoretical Chemistry Accounts.

DFT studies on the influence of ligation on optical and redox properties of bimetallic [Au4M2] clusters

Ganga Periyasamy, Manohar Pillegowda, 2016 .

Development of a New Arylamination Reaction Catalyzed by Polymer Bound 1,3-(Bisbenzimidazolyl) Benzene Co(II) Complex and Generation of Bioactive Adamanate Amines

Basappa, V. Pandey, B. Priya, 2020, Catalysts.

Effect of donor and acceptor on optoelectronic properties of benzo[1,2-b:4,5-b′]dithiophene

Ganga Periyasamy, Kashifa Fazl-Ur-Rahman, Divya Maldepalli Govindachar, 2021, Theoretical Chemistry Accounts.

Bonding patterns of [Ag2-alanine]0,± hybrid complexes and the implementation of Molecular logic gates.

F. Remacle, Ganga Periyasamy, Chenggen Zhang, 2010 .

The role of tetrahydrobiopterin in catalysis by nitric oxide synthase.

Iñaki Morao, I. H. Hillier, J. Joule, 2006, Chemical communications.

DFT studies on ureido-peptide functionalized Au4M2 bimetallic nanoclusters

Ganga Periyasamy, Divya Maldepalli Govindachar, 2020 .

Charge-transfer complexation between naphthalene diimides and aromatic solvents.

S. Balasubramanian, S. George, Chidambar Kulkarni, 2014, Physical chemistry chemical physics : PCCP.

A DFT study of the possible role of vinylidene and carbene intermediates in the mechanism of the enzyme acetylene hydratase.

M. Vincent, N. Burton, I. H. Hillier, 2010, Dalton transactions.

Computational studies on structural and excited-state properties of modified chlorophyll f with various axial ligands.

S. Pati, S. R. K. C. S. Yamijala, Ganga Periyasamy, 2011, The journal of physical chemistry. A.

Monomerization of Homodimeric Trefoil Factor 3 (TFF3) by an Aminonitrile Compound Inhibits TFF3-Dependent Cancer Cell Survival.

K. Rangappa, T. Zhu, P. Lobie, 2022, ACS pharmacology & translational science.

Ortho-Halogen Effects: n → π* Interaction, Halogen Bonding, and Deciphering Chiral Attributes in N-Aryl Glycine Peptoid Foldamers

Ashutosh Kumar Singh, S. Peter, Bishwajit Paul, 2022, Journal of Molecular Structure.

Influence of interface structure in redox and optical properties of thio and seleno-Ureidopeptide functionalized bimetallic gold nanocluster: DFT study.

Ganga Periyasamy, Divya Maldepalli Govindachar, 2021, Journal of molecular graphics & modelling.

Role of oxygen vacancy ordering on structure and reactivity of iron-doped Sr-based perovskites: A computational study

Ganga Periyasamy, Kashifa Fazl-Ur-Rahman, 2022, Journal of Solid State Chemistry.

DFT studies on interaction between bimetallic [Au2M] clusters and cellobiose

Ganga Periyasamy, Manohar Pillegowda, 2018 .

On the ultrafast charge migration and subsequent charge directed reactivity in Cl⋯N halogen-bonded clusters following vertical ionization.

A. Bhattacharya, Ganga Periyasamy, Sankhabrata Chandra, 2015, The Journal of chemical physics.

DFT Studies on the Terminal Dependent Reversible Switching of Selenoxo Peptides Induced by Cationization

V. Sureshbabu, Sherin Joy, Ganga Periyasamy, 2017 .

Electronic-Structure Calculations of Cation-Ordered II-III Layered Double Hydroxides: Origin of the Distortion of the Metal-Coordination Symmetry

P. Kamath, K. Jayanthi, Ganga Periyasamy, 2017 .

DFT Study of Polymorphism in Al(OH)3: A Structural Synthon Approach†

P. Kamath, Ganga Periyasamy, Supreeth Nagendran, 2015 .

Factors controlling material deposition in the CVD of nickel sulfides, selenides or phosphides from dichalcogenoimidodiphosphinato complexes: deposition, spectroscopic and computational studies.

M. A. Malik, N. Burton, K. Ramasamy, 2010, Dalton transactions.

The dithiolene ligand--'innocent' or 'non-innocent'? A theoretical and experimental study of some cobalt-dithiolene complexes.

M. Vincent, N. Burton, I. H. Hillier, 2007, Faraday discussions.

Investigation of NPB Analogs That Target Phosphorylation of BAD-Ser99 in Human Mammary Carcinoma Cells

K. Rangappa, P. Lobie, Ganga Periyasamy, 2021, International journal of molecular sciences.

Computational Studies on Structural, Excitation, and Charge-Transfer Properties of Ureidopeptidomimetics.

V. Sureshbabu, Sherin Joy, Ganga Periyasamy, 2016, The journal of physical chemistry. B.

Synthesis, crystal structures, photophysical, electrochemical studies, DFT and TD-DFT calculations and Hirshfeld analysis of new 2,2′:6′,2′′-terpyridine ligands with pendant 4′-(trimethoxyphenyl) groups and their homoleptic ruthenium complexes

P. A. Suchetan, R. Butcher, G. Nagaraju, 2020, New Journal of Chemistry.

Density functional theory investigations on the structure and dissolution mechanisms for cellobiose and xylan in an ionic liquid: gas phase and cluster calculations.

S. Balasubramanian, Rajdeep Singh Payal, Ganga Periyasamy, 2012, The journal of physical chemistry. B.

Ligand and solvation effects on the electronic properties of Au55 clusters: a density functional theory study.

F. Remacle, Ganga Periyasamy, 2009, Nano letters.

Binding mode of 1-methylcyclopropene, an ethylene antagonist in various copper models

Sherin Joy, Ganga Periyasamy, 2020 .

Adsorption of HF Pollutant on Single Vacant 2D Nanosheets: Ab Initio Molecular Dynamics Study

S. Pati, D. Ghosh, Ganga Periyasamy, 2013 .

Density functional theoretical investigation of the aromatic nature of BN substituted benzene and four ring polyaromatic hydrocarbons.

S. Pati, D. Ghosh, Ganga Periyasamy, 2011, Physical chemistry chemical physics : PCCP.

Engineering of Tripeptide-Stabilized Gold Nanoclusters with Inherent Photosensitizing Property for Bioimaging and Photodynamic Therapy

R. Jayasree, Hema Santhakumar, Ganga Periyasamy, 2023, ACS Sustainable Chemistry & Engineering.

Influence of Ionic Liquid Solvation on Various Size Homo‐ and Heterometallic Clusters [M’mMn] (M and M’= Au, Cu, Ag, Ni, Pd and Pt)

Ganga Periyasamy, Manohar Pillegowda, 2017 .

On the ultrafast charge migration dynamics in isolated ionized halogen, chalcogen, pnicogen, and tetrel bonded clusters

Bhaskar Rana, A. Bhattacharya, Ganga Periyasamy, 2016 .

Electronic transitions in layered hydroxides: Consequences of trigonal distortion of octahedral symmetry.

P. Kamath, K. Jayanthi, Ganga Periyasamy, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Redox-Executed Logic Operations through the Reversible Voltammetric Response Characteristics of Electroactive Self-Assembled Monolayers

R. Levine, F. Remacle, Ganga Periyasamy, 2010 .

Possible application of 2D-boron sheets as anode material in lithium ion battery: A DFT and AIMD study

Swastika Banerjee, S. Pati, Ganga Periyasamy, 2014 .

The binding of nitric oxide at the Cu(i) site of copper nitrite reductase and of inorganic models: DFT calculations of the energetics and EPR parameters of side-on and end-on structures.

N. Burton, I. H. Hillier, M. Sundararajan, 2007, Physical chemistry chemical physics : PCCP.

Computational studies on magnetism and the optical properties of transition metal embedded graphitic carbon nitride sheets

S. Pati, D. Ghosh, Ganga Periyasamy, 2014 .

Investigation of embelin synthetic hybrids as potential COVID-19 and COX inhibitors: Synthesis, spectral analysis, DFT calculations and molecular docking studies

Sasidhar B. Somappa, P. Karunakar, M. Javeed, 2022, Journal of molecular structure.

Computational studies on structural and optical properties of single-stranded DNA encapsulated silver/gold clusters

Swapan K. Pati, S. Pati, A. Manna, 2012 .

Electronic wave packet motion in water dimer cation: A many electron description

R. Levine, F. Remacle, Ganga Periyasamy, 2009 .

Transition Metal Embedded Two-Dimensional C3N4–Graphene Nanocomposite: A Multifunctional Material

S. Pati, D. Ghosh, Ganga Periyasamy, 2014 .

Electrochemically driven sequential machines: an implementation of copper rotaxanes.

Francoise Remacle, Jean-Pierre Sauvage, R. Levine, 2009, Chemistry.

CO2 migration pathways in oxalate decarboxylase and clues about its active site.

S. Balasubramanian, T. Karmakar, Ganga Periyasamy, 2013, The journal of physical chemistry. B.

Electron delocalization in the metallabenzenes: a computational analysis of ring currents.

N. Burton, I. H. Hillier, Jens M. H. Thomas, 2008, The journal of physical chemistry. A.

Methane formation from the hydrogenation of carbon dioxide on Ni(110) surface--a density functional theoretical study.

Pallavi Bothra, S. Pati, Ganga Periyasamy, 2013, Physical chemistry chemical physics : PCCP.

Understanding the binding mechanism of various chiral SWCNTs and ssDNA: a computational study.

S. Pati, Ganga Periyasamy, P. K. Samanta, 2012, The journal of physical chemistry. B.

Spectroscopic and theoretical investigation on the origin of color in jarosites.

P. Vishnu Kamath, Ganga Periyasamy, Kashifa Fazl-Ur-Rahman, 2021, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Hydration-induced interpolytype transformations in the bayerite-derived nitrate-intercalated layered double hydroxide of Li and Al

P. Kamath, Ganga Periyasamy, Supreeth Nagendran, 2018, Journal of Solid State Chemistry.

Structure models for the hydrated and dehydrated nitrate-intercalated layered double hydroxide of Li and Al.

P. Kamath, Ganga Periyasamy, Supreeth Nagendran, 2016, Dalton transactions.

Density functional theoretical investigation on structure, optical response and hydrogen adsorption properties of B9/metal-B9 clusters.

Swastika Banerjee, S. Pati, Ganga Periyasamy, 2013, Physical chemistry chemical physics : PCCP.

Role of alloying in Cu2O conversion anode for Li-ion batteries

P. Kamath, G. Kiran, Ganga Periyasamy, 2019, Theoretical Chemistry Accounts.

Formation mechanism and possible stereocontrol of bisphenol a derivatives: a computational study.

Swastika Banerjee, S. Pati, Ganga Periyasamy, 2014, The journal of physical chemistry. B.

An exfoliated redox active imide covalent organic framework for metal free hydrogen gas sensing

K. Basavaiah, Marilyn Esclance DMello, S. Kalidindi, 2023, Sensors & Diagnostics.

Computational, structural, and mechanistic analysis of the electrochemically driven pirouetting motion of a copper rotaxane.

Françoise Remacle, Jean-Pierre Sauvage, F. Remacle, 2009, The journal of physical chemistry. B.

'Luminescent Gold Nanorod' to enhance the NIR emission of Photosensitizer for Targeted Cancer Imaging and Dual therapy: Experimental and Theoretical Approach.

R. Jayasree, S. Shenoy, S. Nazeer, 2019, Chemistry.

DFT Studies of Solvation Effects on the Nanosize Bare, Thiolated, and Redox Active Ligated Au55 Cluster†

F. Remacle, J. Raty, E. Durgun, 2010 .

Charge oscillation dynamics in various imidazolium based ion pairs and their time scale

Sherin Joy, Ganga Periyasamy, Blessy Rani Selvaraj, 2020 .

Computational studies on structural and optical properties of single-stranded DNA encapsulated silver/gold clusters

S. Pati, Arun K. Manna, Ganga Periyasamy, 2012 .

Exploring the influence of ionic liquids on bimetallic gold nanoclusters and cellobiose through DFT analysis

Ganga Periyasamy, Manohar Pillegowda, S. K. Lenkennavar, 2024, European Journal of Chemistry.