A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds C Sosa, J Andzelm, BC Elkin, E Wimmer, KD Dobbs, DA Dixon The Journal of Physical Chemistry 96 (16), 6630-6636, 1992 | 889 | 1992 |
Evaluation of the density functional approximation on the computation of hydrogen bond interactions JJ Novoa, C Sosa The Journal of Physical Chemistry 99 (43), 15837-15845, 1995 | 358 | 1995 |
Multilevel parallelization of AutoDock 4.2 AP Norgan, PK Coffman, JPA Kocher, DJ Katzmann, CP Sosa Journal of cheminformatics 3, 1-9, 2011 | 207 | 2011 |
A theoretical study of the ionic dissociation of HF, HCl, and H2S in water clusters C Lee, C Sosa, M Planas, JJ Novoa The Journal of chemical physics 104 (18), 7081-7085, 1996 | 167 | 1996 |
Ab initio calculations on the barrier height for the hydrogen addition to ethylene and formaldehyde. The importance of spin projection C Sosa, H Bernhard Schlegel International Journal of Quantum Chemistry 29 (4), 1001-1015, 1986 | 160 | 1986 |
Theory and implementation of the MBPT density matrix. An application to one-electron properties GW Trucks, EA Salter, C Sosa, RJ Bartlett Chemical physics letters 147 (4), 359-366, 1988 | 154 | 1988 |
Density functional description of transition structures using nonlocal corrections. Silylene insertion reactions into the hydrogen molecule C Sosa, C Lee The Journal of chemical physics 98 (10), 8004-8011, 1993 | 138 | 1993 |
Calculated barrier heights for OH+ C2H2 and OH+ C2H4 using unrestricted Moeller-Plesset perturbation theory with spin annihilation C Sosa, HB Schlegel Journal of the American Chemical Society 109 (14), 4193-4198, 1987 | 131 | 1987 |
Ab initio study of the addition reaction of the methyl radical to ethylene and formaldehyde C Gonzalez, C Sosa, HB Schlegel The Journal of Physical Chemistry 93 (6), 2435-2440, 1989 | 124 | 1989 |
Fullerene derivatives. Comparative theoretical study of C60O and C60CH2 K Raghavachari, C Sosa Chemical physics letters 209 (3), 223-228, 1993 | 119 | 1993 |
Neoantigenic potential of complex chromosomal rearrangements in mesothelioma AS Mansfield, T Peikert, JB Smadbeck, JBM Udell, E Garcia-Rivera, ... Journal of Thoracic Oncology 14 (2), 276-287, 2019 | 111 | 2019 |
Theoretical study of the mechanism of recombinative hydrogen desorption from the monohydride phase of Si (100): The role of defect migration P Nachtigall, KD Jordan, C Sosa The Journal of chemical physics 101 (9), 8073-8081, 1994 | 107 | 1994 |
Selection of the reduced virtual space for correlated calculations. An application to the energy and dipole moment of H2O C Sosa, J Geertsen, GW Trucks, RJ Bartlett, JA Franz Chemical physics letters 159 (2-3), 148-154, 1989 | 107 | 1989 |
IBM system Blue Gene solution C Sosa IBM, International Technical Support Organization, 2008 | 102 | 2008 |
Theoretical study of chemical reactions using density functional methods with nonlocal corrections J Andzelm, C Sosa, RA Eades The Journal of Physical Chemistry 97 (18), 4664-4669, 1993 | 94 | 1993 |
An ab initio study of the reaction pathways for OH+ C2H4. fwdarw. HOCH2CH2. fwdarw. products C Sosa, HB Schlegel Journal of the American Chemical Society 109 (23), 7007-7015, 1987 | 90 | 1987 |
Carbene and silylene insertion reactions. Ab initio calculations on the effects of fluorine substitution C Sosa, HB Schlegel Journal of the American Chemical Society 106 (20), 5847-5852, 1984 | 90 | 1984 |
YAP tyrosine phosphorylation and nuclear localization in cholangiocarcinoma cells are regulated by LCK and independent of LATS activity T Sugihara, NW Werneburg, MC Hernandez, L Yang, A Kabashima, ... Molecular Cancer Research 16 (10), 1556-1567, 2018 | 86 | 2018 |
A study of the Be2 potential curve using the full (CCSDT) coupled‐cluster method: The importance of T4 clusters C Sosa, J Noga, RJ Bartlett The Journal of chemical physics 88 (9), 5974-5976, 1988 | 82 | 1988 |
Massively parallel genomic sequence search on the Blue Gene/P architecture H Lin, P Balaji, R Poole, C Sosa, X Ma, W Feng SC'08: Proceedings of the 2008 ACM/IEEE Conference on Supercomputing, 1-11, 2008 | 77 | 2008 |