Structural Characterization of the (Methanol)4 Potential Energy Surface
Author:
Affiliation:
1. Departamento de Ciencias básicas−Ingeniería Física, Universidad Eafit, AA 3600 Medellín, Colombia, and Grupo de Química-Física Teórica, Instituto de Química, Universidad de Antioquia, AA 1226 Medellín, Colombia
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp9041099
Reference49 articles.
1. QTAIM Study of an α-Helix Hydrogen Bond Network
2. CCSD(T) Complete Basis Set Limit Relative Energies for Low-Lying Water Hexamer Structures
3. A Novel Approach to Parallel Coupled Cluster Calculations: Combining Distributed and Shared Memory Techniques for Modern Cluster Based Systems
4. Development of transferable interaction models for water. II. Accurate energetics of the first few water clusters from first principles
5. Assessment of the Accuracy of Density Functionals for Prediction of Relative Energies and Geometries of Low-Lying Isomers of Water Hexamers
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