| Nuclear Spin Selective Torsional States: Implications of Molecular Symmetry S Belz, O Deeb, L González, T Grohmann, D Kinzel, M Leibscher, J Manz, ... Zeitschrift für Physikalische Chemie 227 (6-7), 1021-1048, 2013 | 10 | 2013 |
| Ab initio adiabatic and quasidiabatic potential energy surfaces of lowest four electronic states of the system FGD Xavier, S Kumar The Journal of chemical physics 133 (16), 164304, 2010 | 10 | 2010 |
| Ab initio ground and the first excited adiabatic and quasidiabatic potential energy surfaces of H++ CO system FG DX, S Kumar Chemical Physics 373 (3), 211-218, 2010 | 8 | 2010 |
| Role of Augmented Basis Sets and Quest for ab Initio Performance/Cost Alternative to Kohn–Sham Density Functional Theory M Martinez Gonzalez, FGD Xavier, J Li, LA Montero-Cabrera, ... The Journal of Physical Chemistry A 124 (1), 126-134, 2019 | 7 | 2019 |
| Accurate ab initio potential for HO2+: CBS extrapolated energies and direct-fit diatomic curves FGD Xavier, M Martínez-González, AJC Varandas Chemical Physics Letters 691, 421-430, 2018 | 7 | 2018 |
| Communication: Ab initio study of O4H+: A tracer molecule in the interstellar medium? GD Xavier, MI Bernal-Uruchurtu, R Hernández-Lamoneda The Journal of Chemical Physics 141 (8), 081101, 2014 | 7 | 2014 |
| Global Potential Energy Surface for HO2+ Using the CHIPR Method FGD Xavier, MM González, AJC Varandas The Journal of Physical Chemistry A 123 (8), 1613-1621, 2019 | 6 | 2019 |
| Ab initio study of the O 4 H+ novel species: spectroscopic fingerprints to aid its observation FGD Xavier, R Hernández-Lamoneda Physical Chemistry Chemical Physics 17 (24), 16023-16032, 2015 | 5 | 2015 |
| Quantum dynamics of collisions FGD Xavier, S Kumar Physical Review A 83 (4), 042709, 2011 | 5 | 2011 |
| Nonadiabatic Dynamics on the Two Coupled Electronic PESs: The H+ + O2 System FGD Xavier J. Phys. Chem. A 114 (38), 10357–10366, 2010 | 5 | 2010 |
| M-CHIPR: A Mathematica program for constructing multi-state coupled adiabatic potential energy functions in triatomic molecule using many body partitioning approach GD Xavier Computer Physics Communications 278, 108419, 2022 | 2 | 2022 |
| Modelling adiabatic cusps in via 2× 2 diabatic matrix FGD Xavier, AJC Varandas Molecular Physics 119 (10), e1904157, 2021 | 2 | 2021 |
| Scattering Resonances in Low-Energy H+ + CO Collisions F George, TJ Kumar, S Kumar Indian Journal of Physics 81, 889-900, 2007 | 2 | 2007 |
| Erratum: “Communication: Ab initio study of O4H+: A tracer molecule in the interstellar medium?” [J. Chem. Phys. 141, 081101 (2014)] GD Xavier, MI Bernal-Uruchurtu, R Hernández-Lamoneda The Journal of Chemical Physics 141 (10), 109901, 2014 | 1 | 2014 |
| Nonadiabatic Dynamics on the Two Coupled Electronic PESs: The H++ O-2 System F George, D Xavier Journal of Physical Chemistry A 114 (38), 10357-10366, 2010 | 1 | 2010 |
| Combined modelling of triply paired coupled electronic states of HO+ ion with 3A′′ 2 symmetry using newly developed coupled Eigen model FGD Xavier ChemPhysChem, e202200909, 2023 | | 2023 |
| NONADIABATIC COLLISIONS OF PROTON WITH CO AND O2 MOLECULES: A QUANTUM MECHANICAL STUDY FGD Xavier | | 2010 |
| Nonadiabatic collisions of protons with CO and O2 molecules: A quantum mechanical study FG Densingh Xavier Indian Institute of Technology Madras, Chennai 600 036, 2009 | | 2009 |
| Diabatic potential energy surfaces of H+ + CO. S Kumar Journal of Chemical Sciences 119 (5), 2007 | | 2007 |
| H novel species: spectroscopic fingerprints to aid its observation FGD Xavier, R Hernández-Lamoneda | | |
