Theoretical analysis of photoinduced H-atom elimination in thiophenol TS Venkatesan, SG Ramesh, Z Lan, W Domcke The Journal of Chemical Physics 136 (17), 2012 | 50 | 2012 |
From High-Energy C7H2 Isomers with A Planar Tetracoordinate Carbon Atom to An Experimentally Known Carbene K Thirumoorthy, A Karton, VS Thimmakondu The Journal of Physical Chemistry A 122 (46), 9054-9064, 2018 | 36 | 2018 |
Multimode Jahn− Teller and Pseudo-Jahn− Teller Interactions in the Cyclopropane Radical Cation: Complex Vibronic Spectra and Nonradiative Decay Dynamics TS Venkatesan, S Mahapatra, HD Meyer, H Köppel, LS Cederbaum The Journal of Physical Chemistry A 111 (10), 1746-1761, 2007 | 32 | 2007 |
Si3C2H2 isomers with a planar tetracoordinate carbon or silicon atom (s) VS Thimmakondu, K Thirumoorthy Computational and Theoretical Chemistry 1157, 40-46, 2019 | 26 | 2019 |
Theoretical Investigation of Jahn−Teller Dynamics in the 2E‘ Electronic Ground State of the Cyclopropane Radical Cation TS Venkatesan, S Mahapatra, LS Cederbaum, H Köppel The Journal of Physical Chemistry A 108 (12), 2256-2267, 2004 | 23 | 2004 |
Si2C5H2 isomers–search algorithms versus chemical intuition K Thirumoorthy, AL Cooksy, VS Thimmakondu Physical Chemistry Chemical Physics 22, 5865-5872, 2020 | 20 | 2020 |
Theoretical Studies of SiC4H2 Isomers Delineate Three Low-Lying Silylidenes Are Missing in the Laboratory N Job, A Karton, K Thirumoorthy, AL Cooksy, VS Thimmakondu The Journal of Physical Chemistry A 124 (5), 987-1002, 2020 | 20 | 2020 |
Energetic and spectroscopic properties of the low-lying C7H2 isomers: a high-level ab initio perspective VS Thimmakondu, A Karton Physical Chemistry Chemical Physics 19 (27), 17685-17697, 2017 | 20 | 2017 |
Flat crown ethers with planar tetracoordinate carbon atoms K Thirumoorthy, VS Thimmakondu International Journal of Quantum Chemistry 121, e26479, 2021 | 19 | 2021 |
Theoretical Studies of Two Key Low-Lying Carbenes of C5H2 Missing in the Laboratory VS Thimmakondu, I Ulusoy, AK Wilson, A Karton The Journal of Physical Chemistry A 123 (30), 6618-6627, 2019 | 19 | 2019 |
CAl4Mg0/−: Global Minima with a Planar Tetracoordinate Carbon Atom N Job, M Khatun, K Thirumoorthy, SSR CH, V Chandrasekaran, A Anoop, ... Atoms 9 (2), 24, 2021 | 18 | 2021 |
Carbonyl Diazide, OC(N3)2: Synthesis, Purification, and IR Spectrum AM Nolan, BK Amberger, BJ Esselman, VS Thimmakondu, JF Stanton, ... Inorganic Chemistry 51 (18), 9846-9851, 2012 | 18 | 2012 |
The quest for the carbene bent-pentadiynylidene isomer of C5H2 VS Thimmakondu, A Karton Chemical Physics 515, 411-417, 2018 | 17 | 2018 |
Kinetic Stability of Si2C5H2 Isomer with a Planar Tetracoordinate Carbon Atom K Thirumoorthy, V Chandrasekaran, AL Cooksy, VS Thimmakondu Chemistry 3 (1), 13-27, 2021 | 16 | 2021 |
The equilibrium geometries of heptatriynylidene, cyclohepta-1, 2, 3, 4-tetraen-6-yne, and heptahexaenylidene VS Thimmakondu Computational and Theoretical Chemistry 1079, 1-10, 2016 | 16 | 2016 |
From Molecules with A Planar Tetracoordinate Carbon to an Astronomically Known C5H2 Carbene A Karton, VS Thimmakondu J. Phys. Chem. A 126 (16), 2561-2568, 2022 | 15 | 2022 |
Corrosion inhibitive evaluation and DFT Studies of 2-(Furan-2-yl)-4,5-Diphenyl-1H-imidazole on mild steel at 1.0M HCl L Konda Thulasiraman, VS Thimmakondu, S Nagarajan, R Natarajan Journal of the Indian Chemical Society 98 (9), 100121, 2021 | 15 | 2021 |
Vibronic interactions in the photodetachment spectroscopy of phenide anion V Sivaranjana Reddy, TS Venkatesan, S Mahapatra The Journal of chemical physics 126 (7), 2007 | 15 | 2007 |
Exploring the Jahn-Teller and pseudo-Jahn-Teller conical intersections in the ethane radical cation TS Venkatesan, S Mahapatra The Journal of chemical physics 123 (11), 2005 | 15 | 2005 |
On the Jahn–Teller and pseudo-Jahn–Teller effects in the photoelectron spectrum of cyclopropane TS Venkatesan, S Mahapatra, H Köppel, LS Cederbaum Journal of molecular structure 838 (1-3), 100-106, 2007 | 14 | 2007 |