Predicting odor from molecular structure: a multi-label classification approach von Saini, Kushagra, Ramanathan, Venkatnarayan

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Substituents’ influence on the C–H···π interaction in the T-shaped benzene dimer von Mishra, Brijesh Kumar, Venkatnarayan, Ramanathan

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Sulfur Centered Hydrogen Bonding in Thioglycolic Acid and Its Clusters: A Computational Exploration von Bhadoria, Poonam, Ramanathan, Venkatnarayan

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Non-linear optical imaging of atherosclerotic plaques in the context of SIV and HIV infection prominently detects crystalline cholesterol esters von Park, Min Hi, Suhalim, Jeffrey L, Elmastour, Firas, Singha, Santu K, Imafuku, Tadashi, Venkatnarayan, Ramanathan, Christ, Anette, Grebe, Alena, Oppelt, Sarah A, Sviridov, Dmitri, Bukrinsky, Michael, Latz, Eicke, Potma, Eric O, Fitzgerald, Michael L

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Computational underpinnings for the dimerization of para-aminothiophenol to dimercaptoazobenzene on copper surface von Bhadoria, Poonam, Ramanathan, Venkatnarayan

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Bismuth oxybromide based novel substrate for surface enhanced Raman spectroscopy von Saroj, Arti, Ramanathan, Venkatnarayan

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Conformational stability and structural analysis of methanethiol clusters: a revisit von Tripathi, Manish Kumar, Ramanathan, Venkatnarayan

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Conformational and structural stability of n and 2-propylthiols: a revisit von Tripathi, Manish Kumar, Ramanathan, Venkatnarayan

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To dimerize or not: -aminothiophenol on a bismuth heterostructure von Bhadoria, Poonam, Saroj, Arti, Ramanathan, Venkatnarayan

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To dimerize or not: para -aminothiophenol on a bismuth heterostructure von Bhadoria, Poonam, Saroj, Arti, Ramanathan, Venkatnarayan

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Conformational Landscape and Properties of Psilocybin: A Computational Approach von Bhadoria, Poonam, Ramanathan, Venkatnarayan

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To cleave or not—disulfide bond of cystine on nanocopper: a computational approach von Bhadoria, Poonam, Tripathi, Manish Kumar, Venkatnarayan, Ramanathan

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Conformational Landscape and Hydrogen Bonding Pattern of Psilocin: Computational Insights von Bhadoria, Poonam, Ramanathan, Venkatnarayan

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Bismuth based novel substrate for surface enhanced Raman spectroscopy von Saroj, Arti, Sharma, Uttam, Das, Santanu, Ramanathan, Venkatnarayan

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Testing Contemporary Functionals and Basis Sets for their Accuracy in Predicting Vibrational Modes of Newly Discovered Alkaline Earth Metals-Carbonyl Complexes

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Lone pair ··· π interactions between water oxygens and aromatic residues: Quantum chemical studies based on high‐resolution protein structures and model compounds von Jain, Alok, Ramanathan, Venkatnarayan, Sankararamakrishnan, Ramasubbu

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Comprehensive computational insights on the conformations, electronic properties and binding mechanism of mescaline: A hallucinogenic molecule von Bhadoria, Poonam, Tiwari, Aastha, Jain, Alok, Ramanathan, Venkatnarayan

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Molecular salts of 2,6-dihydroxybenzoic acid (2,6-DHB) with N-heterocycles: Crystal structures, spectral properties and Hirshfeld surface analysis von Solomon, K. Anand, Blacque, Olivier, Venkatnarayan, Ramanathan

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Improved Estimates of Host‐Guest Interaction Energies for Endohedral Fullerenes Containing Rare Gas Atoms, Small Molecules, and Cations von Saroj, Arti, Ramanathan, Venkatnarayan, Kumar Mishra, Brijesh, Panda, Aditya N., Sathyamurthy, Narayanasami

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Electrodeposition of Graphitic Carbon Nitride and its In situ Decoration with MnO2 Nanostructures: A Tailored Interface for Dopamine Sensing von Singh, Ankush Kumar, Keshari, Pritesh, Saroj, Arti, Ramanathan, Venkatnarayan, Rosy

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