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
1156 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
700 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
354 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
335 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
308 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
268 2003 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
226 2005 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
226 2001 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 theoretical investigation of the nature of the π-H interaction in ethene– benzene– and benzene– 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 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
154 2015 Electrochemical capture and release of carbon dioxide JH Rheinhardt, P Singh, P Tarakeshwar, DA Buttry
ACS Energy letters 2 (2), 454-461, 2017
129 2017 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
128 2013 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
128 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 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 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
115 2007 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