화학공학소재연구정보센터
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