An ab initio derived torsional potential energy surface for (H2O)3. I. Analytical representation and stationary points
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.469818
Reference36 articles.
1. Study of the structure of molecular complexes. XIII. Monte Carlo simulation of liquid water with a configuration interaction pair potential
2. Study of the structure of molecular complexes. XIII. Monte Carlo simulation of liquid water with a configuration interaction pair potential
3. Monte Carlo liquid water simulation with four-body interactions included
4. Monte Carlo liquid water simulation with four-body interactions included
5. Molecular dynamics simulations of liquid water using the NCC ab initio potential
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