✦ LIBER ✦

A rigid-rotor potential surface for the hydrogen molecule dimer

✍ Scribed by D. L. Merrifield; N. S. Ostlund

Book ID: 104579222
Publisher: John Wiley and Sons
Year: 2009
Tongue: English
Weight: 262 KB
Volume: 12
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560120829

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Potential energy surface determination f

Potential energy surface determination for non rigid molecules. Two-rotor molecules

✍ Yves G. Smeyers 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 844 KB

Potential energy surface for the hydroge

Potential energy surface for the hydrogen molecule-helium system

✍ C.Woodrow Wilson Jr.; Raymond Kapral; George Burns 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 392 KB

The resuks of an ab initio calculation of the potential energy surface governing atomic hydrogen recombination in the presence of helium atoms are presented.

A Monte Carlo error estimator for the ex

A Monte Carlo error estimator for the expansion of rigid-rotor potential energy surfaces

✍ Claire Rist; Alexandre Faure 📂 Article 📅 2011 🏛 Springer 🌐 English ⚖ 250 KB

How does basis set superposition error c

How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?

✍ Simon, Sílvia; Duran, Miquel; Dannenberg, J. J. 📂 Article 📅 1996 🏛 American Institute of Physics 🌐 English ⚖ 349 KB

Accurate potential for the ground state

Accurate potential for the ground state of the hydrogen molecule

✍ A. Pardo; J.M.L. Poyato; J.J. Camacho; E. Martin 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 530 KB

An ab Initio Calculation of a Six-Dimens

An ab Initio Calculation of a Six-Dimensional Potential Surface for the HCl Dimer

✍ P.C. Gomez; P.R. Bunker 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 318 KB

In an earlier paper (P. C. Gomez, P. R. Bunker. A. Karpfen, and H. Lischka, J. Mol. Spectrosc. 166, 44I-448, 1994) we calculated three-dimensional \(a b\) initio potential energy surfaces for the \(\mathrm{HCl}\) dimer at five different values of the dimer stretching coordinate \(R\) (the two \(\mat