Molecular clusters of π-systems: theoretical studies of structures, spectra, and origin of interaction energies KS Kim, P Tarakeshwar, JY Lee Chemical reviews 100 (11), 4145-4186, 2000 | 1159 | 2000 |
Understanding of assembly phenomena by aromatic− aromatic interactions: benzene dimer and the substituted systems EC Lee, D Kim, P Jurecka, P Tarakeshwar, P Hobza, KS Kim The Journal of Physical Chemistry A 111 (18), 3446-3457, 2007 | 703 | 2007 |
Structures, energies, vibrational spectra, and electronic properties of water monomer to decamer HM Lee, SB Suh, JY Lee, P Tarakeshwar, KS Kim The Journal of Chemical Physics 112 (22), 9759-9772, 2000 | 358 | 2000 |
Geometrical and electronic structures of gold, silver, and gold− silver binary clusters: Origins of ductility of gold and gold− silver alloy formation HM Lee, M Ge, BR Sahu, P Tarakeshwar, KS Kim The Journal of Physical Chemistry B 107 (37), 9994-10005, 2003 | 334 | 2003 |
Theoretical investigations of anion− π interactions: the role of anions and the nature of π systems D Kim, P Tarakeshwar, KS Kim The Journal of Physical Chemistry A 108 (7), 1250-1258, 2004 | 309 | 2004 |
Cation− π interactions: a theoretical investigation of the interaction of metallic and organic cations with alkenes, arenes, and heteroarenes D Kim, S Hu, P Tarakeshwar, KS Kim, JM Lisy The Journal of Physical Chemistry A 107 (8), 1228-1238, 2003 | 270 | 2003 |
Olefinic vs aromatic π− h interaction: a theoretical investigation of the nature of interaction of first-row hydrides with ethene and benzene P Tarakeshwar, HS Choi, KS Kim Journal of the American Chemical Society 123 (14), 3323-3331, 2001 | 228 | 2001 |
Substituent effects on the edge-to-face aromatic interactions EC Lee, BH Hong, JY Lee, JC Kim, D Kim, Y Kim, P Tarakeshwar, KS Kim Journal of the American Chemical Society 127 (12), 4530-4537, 2005 | 227 | 2005 |
Insights into the Structures, Energetics, and Vibrations of Monovalent Cation−(Water)1-6 Clusters HM Lee, P Tarakeshwar, J Park, MR Kołaski, YJ Yoon, HB Yi, WY Kim, ... The Journal of Physical Chemistry A 108 (15), 2949-2958, 2004 | 196 | 2004 |
A nickel phosphine complex as a fast and efficient hydrogen production catalyst L Gan, TL Groy, P Tarakeshwar, SKS Mazinani, J Shearer, V Mujica, ... Journal of the American Chemical Society 137 (3), 1109-1115, 2015 | 156 | 2015 |
A theoretical investigation of the nature of the π-H interaction in ethene–H2O, benzene–H2O, and benzene–(H2O) 2 P Tarakeshwar, HS Choi, SJ Lee, JY Lee, KS Kim, TK Ha, JH Jang, ... The Journal of chemical physics 111 (13), 5838-5850, 1999 | 155 | 1999 |
Simple and accurate correlation of experimental redox potentials and DFT-calculated HOMO/LUMO energies of polycyclic aromatic hydrocarbons DD Méndez-Hernández, P Tarakeshwar, D Gust, TA Moore, AL Moore, ... Journal of molecular modeling 19, 2845-2848, 2013 | 136 | 2013 |
Electrochemical capture and release of carbon dioxide JH Rheinhardt, P Singh, P Tarakeshwar, DA Buttry ACS Energy letters 2 (2), 454-461, 2017 | 134 | 2017 |
Assembling Phenomena of Calix [4] hydroquinone Nanotube Bundles by One-Dimensional Short Hydrogen Bonding and Displaced π− π Stacking KS Kim, SB Suh, JC Kim, BH Hong, EC Lee, S Yun, P Tarakeshwar, ... Journal of the American Chemical Society 124 (47), 14268-14279, 2002 | 129 | 2002 |
Characterization of weak NH− π intermolecular interactions of ammonia with various substituted π-systems S Vaupel, B Brutschy, P Tarakeshwar, KS Kim Journal of the American Chemical Society 128 (16), 5416-5426, 2006 | 127 | 2006 |
Cation− π− anion interaction: a theoretical investigation of the role of induction energies D Kim, EC Lee, KS Kim, P Tarakeshwar The Journal of Physical Chemistry A 111 (32), 7980-7986, 2007 | 118 | 2007 |
Role of Lewis Acid(AlCl3)−Aromatic Ring Interactions in Friedel−Craft's Reaction: An ab Initio Study P Tarakeshwar, JY Lee, KS Kim The Journal of Physical Chemistry A 102 (13), 2253-2255, 1998 | 118 | 1998 |
Fluorobenzene⋯water and difluorobenzene⋯water systems: An ab initio investigation P Tarakeshwar, KS Kim, B Brutschy The Journal of chemical physics 110 (17), 8501-8512, 1999 | 111 | 1999 |
Origin of the magic numbers of water clusters with an excess electron HM Lee, SB Suh, P Tarakeshwar, KS Kim The Journal of chemical physics 122 (4), 2005 | 109 | 2005 |
Surface-enhanced Raman scattering on semiconducting oxide nanoparticles: oxide nature, size, solvent, and pH effects P Tarakeshwar, D Finkelstein-Shapiro, SJ Hurst, T Rajh, V Mujica The Journal of Physical Chemistry C 115 (18), 8994-9004, 2011 | 91 | 2011 |