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
24110 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)3 WNO and R3 PO by (silox)3 M (M = V, Ta) and (silox)3 NbL (silox = t Bu3 SiO): 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