General atomic and molecular electronic structure system MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ... Journal of computational chemistry 14 (11), 1347-1363, 1993 | 23514 | 1993 |
POLYRATE, version 9.7 JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ... University of Minnesota, Minneapolis, 2007 | 306 | 2007 |
Ground state electronic structures and spectra of zinc complexes of porphyrin, tetraazaporphyrin, tetrabenzoporphyrin, and phthalocyanine: A density functional theory study KA Nguyen, R Pachter The Journal of Chemical Physics 114 (24), 10757-10767, 2001 | 270 | 2001 |
Observation and Interpretation of Annulated Porphyrins: Studies on the Photophysical Properties of meso-Tetraphenylmetalloporphyrins JE Rogers, KA Nguyen, DC Hufnagle, DG McLean, W Su, KM Gossett, ... The Journal of Physical Chemistry A 107 (51), 11331-11339, 2003 | 201 | 2003 |
A dual‐level Shepard interpolation method for generating potential energy surfaces for dynamics calculations KA Nguyen, I Rossi, DG Truhlar The Journal of chemical physics 103 (13), 5522-5530, 1995 | 180 | 1995 |
Polyrate-version 2017-C J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ... University of Minnesota, Minneapolis, MN, 2017 | 140 | 2017 |
J. Comput. Chem. MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ... J. Comput. Chem 14, 1347-1363, 1993 | 140 | 1993 |
together with Dupuis, M.; Montgomery KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, S Koseki, ... J. Comput. Chem 14, 1347, 1993 | 139 | 1993 |
Understanding structural and optical properties of nanoscale CdSe magic-size quantum dots: insight from computational prediction KA Nguyen, PN Day, R Pachter The Journal of Physical Chemistry C 114 (39), 16197-16209, 2010 | 138 | 2010 |
Polyrate-version 8.2 YY Chuang, JC Corchado, PL Fast, J Villa, EL Coitino, WP Hu, YP Liu, ... University of Minnesota, Minneapolis, 1999 | 131 | 1999 |
TDDFT study of one-and two-photon absorption properties: donor− π− acceptor chromophores PN Day, KA Nguyen, R Pachter The Journal of Physical Chemistry B 109 (5), 1803-1814, 2005 | 121 | 2005 |
Polyrate J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ... University of Minnesota, Minneapolis, 2010 | 120 | 2010 |
POLYRATE, version 7.0 R Steckler, YY Chuang, EL Coitino, WP Hu, YP Liu, GC Lynch, ... University of Minnesota, Minneapolis 33, 1996 | 111 | 1996 |
Montgo-mery JA MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ... J. Comput. Chem. 14, 1347, 1993 | 97 | 1993 |
Analysis of Absorption Spectra of Zinc Porphyrin, Zinc meso-Tetraphenylporphyrin, and Halogenated Derivatives KA Nguyen, PN Day, R Pachter, S Tretiak, V Chernyak, S Mukamel The Journal of Physical Chemistry A 106 (43), 10285-10293, 2002 | 94 | 2002 |
Reaction‐path dynamics in curvilinear internal coordinates including torsions KA Nguyen, CF Jackels, DG Truhlar The Journal of chemical physics 104 (17), 6491-6496, 1996 | 91 | 1996 |
A density functional theory study of phosphorescence and triplet–triplet absorption for nonlinear absorption chromophores KA Nguyen, J Kennel, R Pachter The Journal of chemical physics 117 (15), 7128-7136, 2002 | 83 | 2002 |
Jr JAM MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ... General atomic and molecular electronic structure system. J. Comput. Chem 14 …, 1993 | 82 | 1993 |
Ab initio study of the molecular and electronic structure of CoCH2+ and of the reaction mechanism of methylenecobalt (1+)+ hydrogen DG Musaev, K Morokuma, N Koga, KA Nguyen, MS Gordon, TR Cundari The Journal of Physical Chemistry 97 (44), 11435-11444, 1993 | 80 | 1993 |
Effects of halogenation on the ionized and excited states of free-base and zinc porphyrins KA Nguyen, PN Day, R Pachter The Journal of chemical physics 110 (18), 9135-9144, 1999 | 78 | 1999 |