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Theoretical study of structural patterns in CH2OP2isomers

✍ Scribed by Raluca Septelean; Petronela Maria Petrar; Nemes Gabriela; Jean Escudié; Ioan Silaghi-Dumitrescu


Book ID
106240416
Publisher
Springer-Verlag
Year
2010
Tongue
English
Weight
286 KB
Volume
17
Category
Article
ISSN
1610-2940

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A Theoretical Study of ã4A2 CH2+
✍ Per Jensen; Steven S. Wesolowski; Nicole R. Brinkmann; Nancy A. Richardson; Yuki 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 224 KB

The potential energy surface and dipole moment surfaces of the ã 4 A 2 electronic state of CH + 2 are calculated ab initio using an augmented correlation-consistent polarized valence quadruple-ζ (aug-cc-pVQZ) basis set, with the incorporation of dynamical correlation using the coupled cluster method