검색결과 : 40건
No. | Article |
---|---|
1 |
Bonding in mercury-alkali molecules: Orbital-driven van der Waals complexes Kraka E, Cremer D International Journal of Molecular Sciences, 9(6), 926, 2008 |
2 |
Review on DFT and ab initio calculations of scalar coupling constants Alkorta I, Elguero J International Journal of Molecular Sciences, 4(3), 64, 2003 |
3 |
An ab initio study of the potential energy surface and spectrum of Ar-CO Toczylowski RR, Cybulski SM Journal of Chemical Physics, 112(10), 4604, 2000 |
4 |
Ab initio potential energy surface for the Ar(S-1) plus OH(X-2 Pi) interaction and bound rovibrational states Klos J, Chalasinski G, Berry MT, Kendall RA, Burcl R, Szczesniak MM, Cybulski SM Journal of Chemical Physics, 112(11), 4952, 2000 |
5 |
Spectra of Ar-CO2 from ab initio potential energy surfaces Misquitta AJ, Bukowski R, Szalewicz K Journal of Chemical Physics, 112(12), 5308, 2000 |
6 |
Potential energy surfaces for and energetics of the weakly-bound Al-H-2 and B-H-2 complexes Williams J, Alexander MH Journal of Chemical Physics, 112(13), 5722, 2000 |
7 |
Ab initio based study of the ArO- photoelectron spectra: Selectivity of spin-orbit transitions Buchachenko AA, Jakowski J, Chalasinski G, Szczesniak MM, Cybulski SM Journal of Chemical Physics, 112(13), 5852, 2000 |
8 |
OH vibrational activation and decay dynamics of CH4-OH entrance channel complexes Wheeler MD, Tsiouris M, Lester MI, Lendvay G Journal of Chemical Physics, 112(15), 6590, 2000 |
9 |
Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory Bukowski R, Sadlej J, Jeziorski B, Jankowski P, Szalewicz K Journal of Chemical Physics, 110(8), 3785, 1999 |
10 |
Solvation of cyclopentadienyl and substituted cyclopentadienyl radicals in small clusters. I. Nonpolar solvents Fernandez JA, Yao J, Bernstein ER Journal of Chemical Physics, 110(11), 5159, 1999 |