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Multireference configuration interaction calculation of the potential energy curves for OH bond breaking in the ground and lowest excited states of the water monomer and dimer

✍ Scribed by Ramón M. Sosa; Patricia Gardiol; Oscar N. Ventura


Book ID
107806958
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
746 KB
Volume
297
Category
Article
ISSN
0022-2860

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Configuration interaction calculation of
✍ J. Perić-Radić; J. Römelt; S.D. Peyerimhoff; R.J. Buenker 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 648 KB

## Lehruuhl firr 77worctische Chcrruc, Gcsurntizoc~~sciru( Wppertal. D-5600 rVuppertaI-Elhcrfef~. tiermany KcLcivctl 24 hlsy 1977 Ab initio SCF dntl CI calculations arc reported for the C3 molcculc using a basis set of doublc-rcta plus polanzation quality. Potcntinl curvc5 arc obt.Grcd for tlrc cy