✦ LIBER ✦

Two-Dimensional H 2 O−Cl 2 and H 2 O−Br 2 Potential Surfaces: An Ab Initio Study of Ground and Valence Excited Electronic States

✍ Scribed by Hernández-Lamoneda, Ramón; Uc Rosas, Victor Hugo; Bernal Uruchurtu, Margarita I.; Halberstadt, Nadine; Janda, Kenneth C.

Book ID: 120602240
Publisher: American Chemical Society
Year: 2008
Tongue: English
Weight: 220 KB
Volume: 112
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp077074i

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio study of the two competitive c

Ab initio study of the two competitive channels HO2 + H → H2 + O2 and HO2 + H → H2O + O

✍ A. Boutalib; H. Cardy; C. Chevaldonnet; M. Chaillet 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 684 KB

Ab Initio Potential Energy and Dipole Mo

Ab Initio Potential Energy and Dipole Moment Surfaces of (H 2 O) 2†

✍ Huang, Xinchuan; Braams, Bastiaan J.; Bowman, Joel M. 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 193 KB

Ab initio potential energy surfaces of A

Ab initio potential energy surfaces of Ar–H2O and Ar–D2O

✍ Bulski, M.; Wormer, P. E. S.; van der Avoird, A. 📂 Article 📅 1991 🏛 American Institute of Physics 🌐 English ⚖ 917 KB

Ab initio studies of F−(H2O)n and Cl−(H2

Ab initio studies of F−(H2O)n and Cl−(H2O)n clusters for n = 1, 2

✍ A. M. Sapse; Duli C. Jain 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 569 KB

Electronic and geometrical structure of

Electronic and geometrical structure of H2BOBH2. An ab initio study

✍ Fabien Gatti; Nathalie Berthe-Gaujac; Isabelle Demachy; François Volatron 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 421 KB

The structure of the diboroxane H2B-O-BH2 has been studied by means of ab initio calculations at the MP4/6-311G\*\*// MP2/6-31 IG\*\* level. Two minima have been characterized on the potential energy surface (PES): one is of DEd symmetry, analogous to the isoelectronic allene molecule, and the other

Ab Initio Study of the AlX 3 ···2H 2 O (

Ab Initio Study of the AlX 3 ···2H 2 O (X = F, Cl) and AlF 3 ···3H 2 O Complexes

✍ Krossner, M.; Scholz, G.; Stösser, R. 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 154 KB