✦ LIBER ✦

Theory of the strong hydrogen bond. Ab initio calculations on HF2- and H5O2+1a

✍ Scribed by Kollman, Peter A.; Allen, Leland Cullen.

Book ID: 121011800
Publisher: American Chemical Society
Year: 1970
Tongue: English
Weight: 826 KB
Volume: 92
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00724a001

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Matrix Isolation and ab Initio Study of

Matrix Isolation and ab Initio Study of 1:1 Hydrogen-Bonded Complexes of H 2 O 2 with HF, HCl, and HBr

✍ Goebel, James R.; Antle, Kathryn A.; Ault, Bruce S.; Del Bene, Janet E. 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 104 KB

AB initio calculations on intermolecular

AB initio calculations on intermolecular forces. The systems He…HF and He…H2O

✍ Hans Lischka 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 452 KB

Ab initio computation of the force field

Ab initio computation of the force field and vibrational frequencies of the H2O·HF hydrogen bonded complex

✍ D.G. Lister; P. Palmiari 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 433 KB

Multiphoton Ionization and ab Initio Cal

Multiphoton Ionization and ab Initio Calculation Studies of the Hydrogen-Bonded Clusters C 4 H 5 N−(H 2 O) n

✍ Li, Yue; Liu, Xiang-Hong; Wang, Xiu-Yan; Lou, Nan-Quan 📂 Article 📅 1999 🏛 American Chemical Society 🌐 English ⚖ 166 KB

Ab initio calculations on the C-H… O hyd

Ab initio calculations on the C-H… O hydrogen-bonded systems CH4-H2O, CH3NH2-H2O and CH3NH3+-H2O

✍ T. van Mourik; F.B. van Duijneveldt 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 944 KB

Hydrogen bond studies. 71. Ab initio cal

Hydrogen bond studies. 71. Ab initio calculation of the vibrational structure and equilibrium geometry in HF−2 and DF−2

✍ Jan Almlöf 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 359 KB

MO LCAO SW calcnlations have been performed to invcstigatc the molecular structure and vibrational spectrum of the bifluoridc ion in its normal and deuterated form. The potential energy for nuclear motions has been evaluated = 3 function of the molecular degrees of freedom. tnkhg only iincnr gcometr