Universal tight binding model for chemical reactions in solution and at surfaces. I. Organic molecules
Author:
Affiliation:
1. Atomistic Simulation Centre, School of Mathematics and Physics, Queen's University Belfast, Belfast BT7 1NN, Northern Ireland, United Kingdom
2. Department of Physics, King's College London, Strand, London WC2R 2LS, United Kingdom
Funder
Engineering and Physical Sciences Research Council (EPSRC)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4887095
Reference52 articles.
1. Universal tight binding model for chemical reactions in solution and at surfaces. II. Water
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3. A tight binding model for water
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5. Approximate Self‐Consistent Molecular Orbital Theory. I. Invariant Procedures
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