An efficient cluster elongation method in density functional theory and its application to poly‐hydrogen‐bonding molecules
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.468479
Reference14 articles.
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2. Computational scheme to determine local vibrations of large systems using elongation method;Theoretical Chemistry Accounts;2016-12-16
3. An Efficient Unrestricted PCM-Elongation Method for Large High-Spin Polymer/Dendrimer Systems;Zeitschrift für Physikalische Chemie;2016-01-27
4. Interaction of OH− with xylan and its hydrated complexes: structures and molecular dynamics study using elongation method;Journal of Molecular Modeling;2015-04-16
5. Geometry optimization for large systems by the elongation method;Theoretical Chemistry Accounts;2012-09-28
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