𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An initio study of the cyclic, bridge-bonded and terminal-bonded isomers of P4S

✍ Scribed by Pablo J. Bruna; Sigrid D. Peyerimhoff


Book ID
103667673
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
716 KB
Volume
149
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio study of the cyclic isomers of
✍ Graham S. Chandler; Dylan Jayatilaka; Magdalena Wajrak πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 824 KB
Valence bond studies of the D2h isomer o
✍ Richard D. Harcourt πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 179 KB πŸ‘ 2 views

Single-zeta and -electron double-zeta basis sets are used to examine some theories of the origin of the stability of the D isomer of O , using ab initio 2 h 4 Ε½ valence-bond procedures. With these basis sets, resonance between covalent-type i.e., . O ΠΈ ΠΈ O valence-bond structures does not lead to a

Cooperative effects in extended hydrogen
✍ J. E. H. Koehler; W. Saenger; B. Lesyng πŸ“‚ Article πŸ“… 1987 πŸ› John Wiley and Sons 🌐 English βš– 858 KB

The additional energy stabilization due to cooperative effects was calculated in extended hydrogen bonded systems O-H..\*O-H.-.O-H with unidirectional (homodromic) orientation of the 0-H groups. A b initio restricted Hartree Fock, MP2 and MP3 calculations with geometry optimization and BSSE correcti