Article ID Journal Published Year Pages File Type
5393116 Computational and Theoretical Chemistry 2015 7 Pages PDF
Abstract
The global minimum on the H2O⋯O2 potential energy surface has been identified with an electronic dissociation energy of 0.65 kcal mol−1 at the UCCSD(T) complete basis set limit.40
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Anchoring the potential energy surface of an important atmospheric van der Waals dimer, the H2O⋯O2 complex
Authors
, ,