Valence–Bond Order (VBO): A New Approach to Modeling Reactive Potential Energy Surfaces for Complex Systems, Materials, and Nanoparticles-Reference-Cited by-同舟云学术

Valence–Bond Order (VBO): A New Approach to Modeling Reactive Potential Energy Surfaces for Complex Systems, Materials, and Nanoparticles

Published:2009-02-10 Issue:3 Volume:5 Page:594-604
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zhao Meiyu¹,Iron Mark A.¹,Staszewski Przemysław¹,Schultz Nathan E.¹,Valero Rosendo¹,Truhlar Donald G.¹

Affiliation:

1. Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, and Department of Theoretical Foundations of Biomedical Sciences and Medical Informatics, Collegium Medicum, Nicolaus Copernicus University, ul. Jagiellońska 13, 85-067 Bydgoszcz, Poland

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct8004535

Reference165 articles.

1. Electron Correlation Effects in Molecules

2. Nobel Lecture: Quantum chemical models

3. Density Functional Theory of Electronic Structure

4. Nobel Lecture: Electronic structure of matter—wave functions and density functionals

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