Efficient optimization of natural resonance theory weightings and bond orders by gram‐based convex programming-Reference-Cited by-同舟云学术

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Efficient optimization of natural resonance theory weightings and bond orders by gram‐based convex programming

Published:2019-05-11 Issue:23 Volume:40 Page:2028-2035
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Glendening Eric D.¹,Wright Stephen J.²,Weinhold Frank³^ORCID

Affiliation:

1. Department of Chemistry and Physics Indiana State University Terre Haute Indiana 47809

2. Department of Computer Science University of Wisconsin–Madison Madison Wisconsin 53705

3. Theoretical Chemistry Institute and Department of Chemistry University of Wisconsin–Madison Madison Wisconsin 53705

Funder

National Science Foundation

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25855

Reference38 articles.

1. Natural resonance theory: I. General formalism

2. Natural resonance theory: II. Natural bond order and valency

3. Natural resonance theory: III. Chemical applications

4. A Stable Silylene with a σ2, π- Butadiene Ligand

5. Thioformaldehyde S-Sulfide, Sulfur Analogue of the Criegee Intermediate: Structures, Energetics, and Rovibrational Analysis

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