| Computational modeling of adsorption of Xe and Kr in M-MOF-74 metal organic frame works with different metal atoms T Vazhappilly, TK Ghanty, BN Jagatap The Journal of Physical Chemistry C 120 (20), 10968-10974, 2016 | 42 | 2016 |
| Ab initio design of light absorption through silver atomic cluster decoration of TiO 2 MP de Lara-Castells, C Cabrillo, DA Micha, AO Mitrushchenkov, ... Physical Chemistry Chemical Physics 20 (28), 19110-19119, 2018 | 39 | 2018 |
| Photoabsorbance and photovoltage of crystalline and amorphous silicon slabs with silver adsorbates T Vazhappilly, DS Kilin, DA Micha The Journal of Physical Chemistry C 116 (48), 25525-25536, 2012 | 31 | 2012 |
| Femtosecond-Laser Desorption of H2 (D2) from Ru(0001): Quantum and Classical Approaches T Vazhappilly, T Klamroth, P Saalfrank, R Hernandez The Journal of Physical Chemistry C 113 (18), 7790-7801, 2009 | 30 | 2009 |
| Ab initio study on structure, elastic, and mechanical properties of lanthanide sesquioxides AK Pathak, T Vazhappilly physica status solidi (b) 255 (6), 1700668, 2018 | 27 | 2018 |
| Vibrationally enhanced associative photodesorption of molecular hydrogen from Ru (0 0 0 1) T Vazhappilly, S Beyvers, T Klamroth, M Luppi, P Saalfrank Chemical Physics 338 (2-3), 299-311, 2007 | 25 | 2007 |
| Computational modeling of the dielectric function of silicon slabs with varying thickness T Vazhappilly, DA Micha The Journal of Physical Chemistry C 118 (8), 4429-4436, 2014 | 22 | 2014 |
| Efficient quantum trajectory representation of wavefunctions evolving in imaginary time S Garashchuk, J Mazzuca, T Vazhappilly The Journal of chemical physics 135 (3), 2011 | 22 | 2011 |
| Multidimensional quantum trajectory dynamics in imaginary time with approximate quantum potential S Garashchuk, T Vazhappilly The Journal of Physical Chemistry C 114 (48), 20595-20602, 2010 | 19 | 2010 |
| Adsorption properties of fission gases Xe and Kr on pristine and doped graphene: A first principle DFT study T Vazhappilly, TK Ghanty, BN Jagatap Journal of Nuclear Materials 490, 174-180, 2017 | 17 | 2017 |
| The effect of doping on adsorption of Xe and Kr on graphyne and graphdiyne T Vazhappilly, TK Ghanty Materials Today Communications 22, 100738, 2020 | 15 | 2020 |
| Theoretical study on the mechanical and thermal properties of uranium dioxide doped with lanthanide fission products T Vazhappilly, AK Pathak Journal of Nuclear Materials 519, 128-136, 2019 | 15 | 2019 |
| Wavepacket approach to the cumulative reaction probability within the flux operator formalism S Garashchuk, T Vazhappilly The Journal of chemical physics 131 (16), 2009 | 14 | 2009 |
| A first principle based study on the mechanical and thermal properties of UO2: Effect of La and Dy fission product concentrations T Vazhappilly, AK Pathak Computational Materials Science 185, 109933, 2020 | 12 | 2020 |
| Quantum confinement effects on electronic photomobilities at nanostructured semiconductor surfaces: Si (111) without and with adsorbed Ag clusters RH Hembree, T Vazhappilly, DA Micha The Journal of Chemical Physics 147 (22), 2017 | 12 | 2017 |
| Modeling the surface photovoltage of silicon slabs with varying thickness T Vazhappilly, DS Kilin, DA Micha Journal of Physics: Condensed Matter 27 (13), 134204, 2015 | 12 | 2015 |
| Model studies of the structure and optical properties of the TiO2(110) surface with an adsorbed Ag atom T Vazhappilly, MP de Lara-Castells, DA Micha Molecular Physics 117 (17), 2267-2274, 2019 | 11 | 2019 |
| Adsorption control of Xe and Kr in SBMOF-2 metal-organic framework by ligand functionalization and different metal atoms T Vazhappilly, TK Ghanty Computational Materials Science 189, 110264, 2021 | 7 | 2021 |
| Photoconductivities from band states and a dissipative electron dynamics: Si (111) without and with adsorbed Ag clusters T Vazhappilly, RH Hembree, DA Micha The Journal of Chemical Physics 144 (2), 2016 | 6 | 2016 |
| Atomic modeling of structural and optical properties of amorphous silicon T Vazhappilly, DA Micha Chemical Physics Letters 570, 95-99, 2013 | 6 | 2013 |
David A. MichaUniversity of FloridaAdresse e-mail validée de qtp.ufl.edu
