Conformational Landscape and Hydrogen Bonding Pattern of Psilocin: Computational Insights.
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- ChemistrySelect, 2023, v. 8, n. 1, p. 1, doi. 10.1002/slct.202203994
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Works matching AU Ramanathan, Venkatnarayan
Results: 10
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Conformational Landscape and Properties of Psilocybin: A Computational Approach.
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- ChemistrySelect, 2022, v. 7, n. 37, p. 1, doi. 10.1002/slct.202203026
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Predicting odor from molecular structure: a multi-label classification approach.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-18086-y
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- Article
4
Effect of confinement on the electronic and optical properties of azobenzene: cucurbituril as a means of confinement.
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- Molecular Physics, 2022, v. 120, n. 17, p. 1, doi. 10.1080/00268976.2022.2109523
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- Article
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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.
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- Protein Science: A Publication of the Protein Society, 2009, v. 18, n. 3, p. 595, doi. 10.1002/pro.67
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Improved Estimates of Host‐Guest Interaction Energies for Endohedral Fullerenes Containing Rare Gas Atoms, Small Molecules, and Cations.
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- ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200413
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To cleave or not—disulfide bond of cystine on nanocopper: a computational approach.
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- Journal of Nanoparticle Research, 2023, v. 25, n. 1, p. 1, doi. 10.1007/s11051-022-05652-8
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- Article
8
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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- Indian Journal of Pure & Applied Physics, 2024, v. 62, n. 2, p. 144, doi. 10.56042/ijpap.v62i2.7766
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Non-linear optical imaging of atherosclerotic plaques in the context of SIV and HIV infection prominently detects crystalline cholesterol esters.
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- PLoS ONE, 2021, v. 16, n. 5, p. 1, doi. 10.1371/journal.pone.0251599
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10
Substituents’ influence on the C-H···π interaction in the T-shaped benzene dimer.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2249-5
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