Methylation of zebularine: a quantum mechanical study incorporating interactive 3D pdf graphs L Selvam, V Vasilyev, F Wang The Journal of Physical Chemistry B 113 (33), 11496-11504, 2009 | 45 | 2009 |
Solvent effects on blue shifted improper hydrogen bond of C–H⋯ O in deoxycytidine isomers L Selvam, F Chen, F Wang Chemical Physics Letters 500 (4-6), 327-333, 2010 | 25 | 2010 |
Blue shifted intramolecular C− H··· O improper hydrogen bonds in conformers of zidovudine F Chen, L Selvam, F Wang Chemical Physics Letters 493 (4-6), 358-363, 2010 | 25 | 2010 |
Effects of quantum chemistry models for bound electrons on positron annihilation spectra for atoms and small molecules F Wang, X Ma, L Selvam, G Gribakin, CM Surko New Journal of Physics 14 (8), 085022, 2012 | 21 | 2012 |
Electron shell contributions to gamma-ray spectra of positron annihilation in noble gases F Wang, L Selvam, GF Gribakin, CM Surko Journal of Physics B: Atomic, Molecular and Optical Physics 43 (16), 165207, 2010 | 21 | 2010 |
Chemical structural effects on γ-ray spectra of positron annihilation in fluorobenzenes F Wang, XG Ma, L Selvam, GF Gribakin, CM Surko The European Physical Journal D 66, 1-9, 2012 | 16 | 2012 |
Methylation of zebularine investigated using density functional theory calculations L Selvam, FF Chen, F Wang Journal of Computational Chemistry 32 (10), 2077-2083, 2011 | 6 | 2011 |
Density functional theory analysis of an organic compound 2-amino-5-chloro-3-nitropyridine LA Selvam, S Prathap, S Muthu, N Balamurugan, MVA Raj Materials Today: Proceedings 50, 2760-2763, 2022 | 2 | 2022 |
Quantum chemical computational studies on 2, 4-difluoroaniline calculated by DFT method LA Selvam, S Prathap, S Muthu, N Balamurugan, MVA Raj Materials Today: Proceedings 50, 2780-2783, 2022 | 2 | 2022 |
Quantum chemical studies on the molecular structure and optical properties of 2-amino-5-bromo benzaldehyde compound based on DFT calculations V Abirami, S Pari, S Sumithanandhi, S Muthupandi, LA Selvam, S Prathap AIP Conference Proceedings 2770 (1), 2023 | 1 | 2023 |
Comparison of molecular properties and docking exploration of ternary organic compounds of 2, 4-Di-substituent-aniline calculated by DFT method LA Selvam, MVA Raj, P Ajith, SS Muthu, M Raja International Journal of Computational Materials Science and Engineering …, 2023 | | 2023 |
Density functional theory calculations on 2-chloro-4-fluoropyridine V Abirami, S Pari, S Muthupandi, LA Selvam, S Prathap AIP Conference Proceedings 2770 (1), 2023 | | 2023 |
Effects of Methylation on Zebularine Studied by Density Functional Theory L Selvam, V Vasilyev, F Wang, V Vasilyev 64th International Symposium On Molecular Spectroscopy 64, TB08", 2009 | | 2009 |
Methylation of Zebularine: A Quantum Mechanical Study Incorporating Interactive 3D pdf Graphs V Vasilyev, L Selvam, F Wang American Chemical Society, 2009 | | 2009 |
Investigation of Cytidine Deaminase Inhibitors: A Quantum Mechanical Approach L Selvam, S Saha, F Wang, E Ivanova | | |
Simulation of spectroscopic properties of atoms and molecules L Selvam Swinburne University of Technology Australia 2012, 0 | | |