| 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 | 24113 | 1993 |
| Main group effective nuclear charges for spin-orbit calculations S Koseki, MS Gordon, MW Schmidt, N Matsunaga The Journal of Physical Chemistry 99 (34), 12764-12772, 1995 | 293 | 1995 |
| Degenerate perturbation theory corrections for the vibrational self-consistent field approximation: Method and applications N Matsunaga, GM Chaban, RB Gerber The Journal of chemical physics 117 (8), 3541-3547, 2002 | 170 | 2002 |
| 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 |
| Pauling's electronegativity equation and a new corollary accurately predict bond dissociation enthalpies and enhance current understanding of the nature of the chemical bond N Matsunaga, DW Rogers, AA Zavitsas The Journal of Organic Chemistry 68 (8), 3158-3172, 2003 | 121 | 2003 |
| Symmetry and Geometry Considerations of Atom Transfer: Deoxygenation of (silox) 3WNO and R3PO (R= Me, Ph, tBu) by (silox) 3M (M= V, NbL (L= PMe3, 4-Picoline), Ta; silox= tBu3SiO) AS Veige, LGM Slaughter, EB Lobkovsky, PT Wolczanski, N Matsunaga, ... Inorganic chemistry 42 (20), 6204-6224, 2003 | 119 | 2003 |
| Accurate ab initio potential energy curve of O2. II. Core-valence correlations, relativistic contributions, and vibration-rotation spectrum L Bytautas, N Matsunaga, K Ruedenberg The Journal of chemical physics 132 (7), 2010 | 104 | 2010 |
| Relativistic potential energy surfaces of XH2 (X= C, Si, Ge, Sn, and Pb) molecules: Coupling of 1A1 and 3B1 states N Matsunaga, S Koseki, MS Gordon The Journal of chemical physics 104 (20), 7988-7996, 1996 | 94 | 1996 |
| Stabilities and energetics of inorganic benzene isomers: prismanes N Matsunaga, MS Gordon Journal of the American Chemical Society 116 (25), 11407-11419, 1994 | 83 | 1994 |
| Effects of Conjugation and Aromaticity on the Sulfoxide Bond1 WS Jenks, N Matsunaga, M Gordon The Journal of Organic Chemistry 61 (4), 1275-1283, 1996 | 79 | 1996 |
| Gamess, version 11 MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ... Iowa State University: Ames, IA, 2008 | 75* | 2008 |
| A comparative study of the bonding in heteroatom analogues of benzene N Matsunaga, TR Cundari, MW Schmidt, MS Gordon Theoretica chimica acta 83, 57-68, 1992 | 75 | 1992 |
| The conjugation stabilization of 1, 3-butadiyne is zero DW Rogers, N Matsunaga, AA Zavitsas, FJ McLafferty, JF Liebman Organic Letters 5 (14), 2373-2375, 2003 | 70 | 2003 |
| Energies and derivative couplings in the vicinity of a conical intersection. II. CH 2 (2 3 A ″, 3 3 A ″) and H 2 S (1 1 A ″, 2 1 A ″), unexpected results in an ostensibly … N Matsunaga, DR Yarkony The Journal of chemical physics 107 (19), 7825-7838, 1997 | 67 | 1997 |
| Deoxygenations of (silox)3WNO and R3PO by (silox)3M (M = V, Ta) and (silox)3NbL (silox = tBu3SiO): Consequences of Electronic Effects AS Veige, LM Slaughter, PT Wolczanski, N Matsunaga, SA Decker, ... Journal of the American Chemical Society 123 (26), 6419-6420, 2001 | 61 | 2001 |
| On the lack of conjugation stabilization in polyynes (polyacetylenes) DW Rogers, N Matsunaga, FJ McLafferty, AA Zavitsas, JF Liebman The Journal of Organic Chemistry 69 (21), 7143-7147, 2004 | 58 | 2004 |
| Comparison of spectroscopic potentials and an a priori analytical function. The potential energy curve of the ground state of the sodium dimer, N Matsunaga, AA Zavitsas The Journal of chemical physics 120 (12), 5624-5630, 2004 | 58 | 2004 |
| Accurate ab initio potential energy curve of F2. II. Core-valence correlations, relativistic contributions, and long-range interactions L Bytautas, N Matsunaga, T Nagata, MS Gordon, K Ruedenberg The Journal of chemical physics 127 (20), 2007 | 57 | 2007 |
| Accurate ab initio potential energy curve of F2. III. The vibration rotation spectrum L Bytautas, N Matsunaga, T Nagata, MS Gordon, K Ruedenberg The Journal of chemical physics 127 (20), 2007 | 56 | 2007 |
| Energies and derivative couplings in the vicinity of a conical intersection 3. The'most'diabatic basis N Matsunaga, DR Yarkony Molecular Physics 93 (1), 79-84, 1998 | 56 | 1998 |
