Calculation of intermolecular potentials for H 2 H 2 and H 2 O 2 dimers ab initio and prediction of second virial coefficients
Author:
Funder
Regional Computer Center of Cologne
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference47 articles.
1. Morphology and burning rates of expanding spherical flames in H2/O2 inert mixtures up to 60 atmospheres;Tse,2000
2. Numerical Simulation of Heat Loads in a Cryogenic H2/O2 Rocket Combustion Chamber
3. Study of the structure of molecular complexes. IV. The Hartree‐Fock potential for the water dimer and its application to the liquid state
4. Experiments? — No, thank you!;Deiters,1999
5. A new ab initio potential for the neon dimer and its application in molecular dynamics simulations of the condensed phase
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4. Ab Initio Intermolecular Potential Energy Surfaces and Cross Second Virial Coefficients for the Dimer N2-NO;ACS Omega;2020-05-19
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