✦ LIBER ✦

Ab initio study of the LiH+ molecule, electronic interaction analysis and LiH UV photoelectron spectrum

✍ Scribed by Hamid Berriche; Florent Xavier Gadea

Book ID: 103666866
Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 922 KB
Volume: 191
Category: Article
ISSN: 0301-0104
DOI: 10.1016/0301-0104(94)00342-8

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio CI study of the stability and

Ab initio CI study of the stability and electronic spectrum of the HOCl molecule

✍ Gerhard Hirsch; Pablo J. Bruna; Sigrid D. Peyerimhoff; Robert J. Buenker 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 732 KB

J,%e ~~arac~cris~es of the UoCI m&c& and its various dissociation praducts are investigated with the help of the ab initio MRD CX method; the HOC1 dipole moment as well as the structural data for the isomeric HCIO species are also eal-c&ted. The results obtained for the vertical spectrum of HOC1 sug

The electronic spectrum, photodecomposit

The electronic spectrum, photodecomposition and dissociative electron attachment of CF2Cl2: An ab initio configuration interaction study

✍ Marius Lewerenz; Bernd Nestmann; Pablo J. Bruna; Sigrid D. Peyerimhoff 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 983 KB

Electronic aspects of the hydride transf

Electronic aspects of the hydride transfer mechanism. III. Ab-initio analytical gradient studies of the cyclopropenyl-cation/LiH with 4-31G and 3-21+G basis sets.

✍ O. Tapia; J. Andres; J.M. Aullo; R. Cardenas 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 313 KB

Photoelectron and electron transmission

Photoelectron and electron transmission spectroscopy and AB initio study of the interaction between the RS- and the -CH2CN and -CH2COR groups

✍ Giuseppe Distefano; Maurizio Guerra; Derek Jones; Alberto Modelli; Paulo R. Oliv 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 716 KB

Photoelectron and ab initio configuratio

Photoelectron and ab initio configuration interaction studies of (NSF)3 and (NSF)4; Trends, and geometric and electronic structures in the (NSF)x(x = 1, 2, 3, and 4) series

✍ Michael H. Palmer; Richard T. Oakley; Nicholas P.C. Westwood 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 924 KB