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 | 24323 | 1993 |
New version of GAMESS STE MW Schimdt, KK Baldridge, JA Boatz, JH Jesen, S Koseki, MS Gordon, KA ... QCPE Bull 10, 52, 1990 | 708* | 1990 |
Are atoms intrinsic to molecular electronic wavefunctions? I. The FORS model K Ruedenberg, MW Schmidt, MM Gilbert, ST Elbert Chemical Physics 71 (1), 41-49, 1982 | 683* | 1982 |
Entropia: architecture and performance of an enterprise desktop grid system A Chien, B Calder, S Elbert, K Bhatia Journal of Parallel and Distributed Computing 63 (5), 597-610, 2003 | 509 | 2003 |
MCSCF optimization through combined use of natural orbitals and the brillouin–levy–berthier theorem K Ruedenberg, LM Cheung, ST Elbert International Journal of Quantum Chemistry 16 (5), 1069-1101, 1979 | 352 | 1979 |
The changing paradigm of data-intensive computing RT Kouzes, GA Anderson, ST Elbert, I Gorton, DK Gracio Computer 42 (1), 26-34, 2009 | 189 | 2009 |
Potential energy surfaces of ozone. I SS Xantheas, GJ Atchity, ST Elbert, K Ruedenberg The Journal of chemical physics 94 (12), 8054-8069, 1991 | 154 | 1991 |
A configuration interaction study of the spin dipole‐dipole parameters for formaldehyde and methylene SR Langhoff, ST Elbert, ER Davidson International Journal of Quantum Chemistry 7 (5), 999-1019, 1973 | 119 | 1973 |
Montgo-mery JA MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ... J. Comput. Chem. 14, 1347, 1993 | 97 | 1993 |
An intersection seam between the ground state of ozone and an excited state of like symmetrya S Xantheas, ST Elbert, K Ruedenberg The Journal of chemical physics 93 (10), 7519-7521, 1990 | 88 | 1990 |
Gamess, version 11 MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ... Iowa State University: Ames, IA, 2008 | 87* | 2008 |
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 |
The design of a scalable, fixed-time computer benchmark J Gustafson, D Rover, S Elbert, M Carter Journal of Parallel and Distributed Computing 12 (4), 388-401, 1991 | 73 | 1991 |
The ring opening of cyclopropylidene to allene: global features of the reaction surface P Valtazanos, ST Elbert, S Xantheas, K Ruedenberg Theoretica chimica acta 78, 287-326, 1991 | 63 | 1991 |
The ring opening of cyclopropylidene to allene: key features of the accurate reaction surface S Xantheas, ST Elbert, K Ruedenberg Theoretica chimica acta 78, 365-395, 1991 | 56 | 1991 |
General atomic and molecular electronic structure system (Gamess) M Schimdt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ... J. Comput. Chem. 14, 1347-1363, 1993 | 51 | 1993 |
Ring opening of cyclopropylidenes to allenes: reactions with bifurcating transition regions, free internal motions, steric hindrances, and long-range dipolar interactions P Valtazanos, ST Elbert, K Ruedenberg Journal of the American Chemical Society 108 (11), 3147-3149, 1986 | 49 | 1986 |
Ab initio calculations on urea ST Elbert, ER Davidson International Journal of Quantum Chemistry 8 (6), 857-892, 1974 | 49 | 1974 |
2014 Fourth International Workshop on Domain-Specific Languages and High-Level Frameworks for High Performance Computing (WOLFHPC)(2014) B Palmer, W Perkins, Y Chen, S Jin, D Callahan, K Glass, R Diao, M Rice, ... | 36* | 2014 |
Analysis of Bonding Patterns in the Valence Isoelectronic Series O3, S3, SO2, and OS2 in Terms of Oriented Quasi-Atomic Molecular Orbitals VA Glezakou, ST Elbert, SS Xantheas, K Ruedenberg The Journal of Physical Chemistry A 114 (33), 8923-8931, 2010 | 36 | 2010 |