Browsing by Subject Molecular structure

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Showing results 1 to 19 of 19
Issue DateTitleAuthor(s)
Aug-2022Water-Controlled Keto–Enol Tautomerization of a Prebiotic NucleobaseDATAR, AVDHOOT; PAITHANKAR, HARSHAD; Deb, Pranab; CHUGH, JEETENDER; Bagchi, Sayan; MUKHERJEE, ARNAB; HAZRA, ANIRBAN; Dept. of Biology; Dept. of Chemistry
Dec-2022S–H···O Hydrogen Bond Can Win over O–H···S Hydrogen Bond: Gas-Phase Spectroscopy of 2-Fluorothiophenol···H2O ComplexMETYA, SURAJIT; DAS, ALOKE; Dept. of Chemistry
Mar-2023Encapsulation Studies on closo-Dicarbadodecaborane Isomers in Neutral Tetrahedral Palladium(II) CagesSARKAR, MEGHAMALA; Hey-Hawkins, Evamarie; BOOMISHANKAR, RAMAMOORTHY; Dept. of Chemistry
Apr-2023Theoretical Assessment of Carbon Dioxide Reactivity in Methylpiperidines: A Conformational InvestigationMUKHERJEE, UTTAMA; PRAKASH, PRABHAT; VENKATNATHAN, ARUN; Dept. of Chemistry
Apr-2023Effect of Substituents on the Intramolecular n→π* Interaction in 3-[2-(Dimethylamino) phenyl] propanal: A Computational StudyPANWARIA, PRAKASH; DAS, ALOKE; Dept. of Chemistry
Jun-2023Effect of Quantum Delocalization on Temperature Dependent Double Proton Transfer in Molecular Crystals of Terephthalic AcidMONDAL, UNMESH; Girotto, Ivan; Hassanali, Ali; GHOSH, PRASENJIT; Dept. of Chemistry; Dept. of Physics
Jun-2024N···C═O n → π* Interaction: Gas-Phase Electronic and Vibrational Spectroscopy Combined with Quantum Chemistry CalculationsPANWARIA, PRAKASH; DAS, ALOKE; Dept. of Chemistry
Oct-2024A Chiral Hexa-amino Cyclotriphosphazene for Enantioselective Recognition of Small Organic CompoundsJOSE, CAVYA; SRADHA, NANIYIL; BOOMISHANKAR, RAMAMOORTHY; Dept. of Chemistry
Jan-2025Access to Bis-Silylene-Stabilized Group 13 CationsGHOSH, MOUSHAKHI; PANWARIA, PRAKASH; Tothadi, Srinu; KHAN, SHABANA; Dept. of Chemistry
Feb-2025Observation of a Crossed Double β-Turn in a Capped DPro-Gly-Ala Tripeptide: One-to-One Correspondence between X-ray Crystallography, 2D-NMR, and Gas-Phase Laser SpectroscopyMANDAL, SOURAV; KUMAR, SATISH; METYA, SURAJIT; SINGH, MANJEET; DAS, ALOKE; Dept. of Chemistry
Mar-2025Understanding Anti-Polyelectrolyte Effect in Polyzwitterions Using Coarse-Grained Molecular Dynamics SimulationsCHAUHAN, AKSHAY; CHAUDHURY, SRABANTI; Dept. of Chemistry
May-2025Portal Substituent Modulations in Chiral Imido-Pd(II) Cages for the Enhanced Separation of Styrene Oxide EnantiomersJOSE, CAVYA; SARKAR, ABHRADEEP; Khopade, Kishor V.; BOOMISHANKAR, RAMAMOORTHY; Dept. of Chemistry
Oct-2025Ligand Isomerism-Assisted Electrochemical Process ModulationMUKHOPADHYAY, SANCHAYITA; Kotresh, Harish Makri Nimbegondi; THOTIYL, MUSTHAFA OTTAKAM; Dept. of Chemistry
Nov-2025Interplay between Intrinsic Propensities of Amino Acids, Backbone Hydrogen Bonding, and Solvent Effects Governs the Secondary Structures of PeptidesMANDAL, SOURAV; KUMAR, SATISH; ROY, SOUVIK; MAHAPATRA, SOUVIK PANDA; DAS, ALOKE; Dept. of Chemistry
Nov-2025Ab Initio Study of Photodissociation and Isomerization Pathways on the Singlet and Triplet Manifolds of 1-NitropropeneGUDEM, MAHESH; HAZRA, ANIRBAN; Dept. of Chemistry
Mar-2026Butadiene-Based Multidentate Ligand Formation via Stannylene Assisted C–C CouplingPATEL, NIRANJAN; RAUT, RAVINDRA K.; Yildiz, Cem. B.; MAJUMDAR, MOUMITA; Dept. of Chemistry
May-2026Harnessing Strong Chiroptical Nonlinearity in Carbene-Copper-Amides through Center-Specific Chirality: An Approach to Amplified DissymmetryGHOSH, MOUSHAKHI; TANWAR, RITEEKA; PANWARIA, PRAKASH; CHATTERJEE, ABHIJIT; PANDAY, RISHUKUMAR; AKHTAR, RUKSANA; Venugopal, Geethu; MANDAL, PANKAJ; KHAN, SHABANA; Dept. of Chemistry
Jun-2026Mechanical Gating of Redox Access in Molecular ElectrocatalysisMENDHE, RAHUL MAHADEO; DARGILY, NEETHU CHRISTUDAS; Kottaichamy, Alagar Raja; DUTT, SHIFALI; Sk, Mukaddar; Kotresh, Harish Makri Nimbegondi; THOTIYL, MUSTHAFA OTTAKAM; Dept. of Chemistry
Jun-2026Intrinsic Folding Motifs versus Solvent Effects: Secondary Structures of the Gly-DPro-Ala TripeptideROY, SUPRAVAT; MANDAL, SOURAV; DAS, ALOKE; Dept. of Chemistry