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Chemically Accurate ab Initio Potential Energy Surfaces for the Lowest 3 A‘ and 3 A‘ ‘ Electronically Adiabatic States of O( 3 P) + H 2†

✍ Scribed by Rogers, Stephanie; Wang, Desheng; Kuppermann, Aron; Walch, Stephen

Book ID: 125902794
Publisher: American Chemical Society
Year: 2000
Tongue: English
Weight: 534 KB
Volume: 104
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp992985g

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## Dedicated to Prof. Edgar Heilbronner on the occasion of his 80th birthday Motto: Hier kocht der Chef, kommen Sie dennoch! Highly correlated ab initio calculations for the potential-energy surfaces of the systems NaÀN 2 , NaÀHCN, and NaÀC 2 H 2 have been performed, where the Na atom is in the 3s