Literature DB >> 23483590

NBO 6.0: natural bond orbital analysis program.

Eric D Glendening1, Clark R Landis, Frank Weinhold.   

Abstract

We describe principal features of the newly released version, NBO 6.0, of the natural bond orbital analysis program, that provides novel "link-free" interactivity with host electronic structure systems, improved search algorithms and labeling conventions for a broader range of chemical species, and new analysis options that significantly extend the range of chemical applications. We sketch the motivation and implementation of program changes and describe newer analysis options with illustrative applications.
Copyright © 2013 Wiley Periodicals, Inc.

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Year:  2013        PMID： 23483590     DOI： 10.1002/jcc.23266

Source DB:  PubMed          Journal:  J Comput Chem        ISSN： 0192-8651            Impact factor:   3.376


  121 in total

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Journal:  Nat Chem       Date:  2016-10-24       Impact factor: 24.427

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Journal:  Organometallics       Date:  2017-09-13       Impact factor: 3.876

6.  Quantum-mechanical investigation of tetrel bond characteristics based on the point-of-charge (PoC) approach.

Authors:  Mahmoud A A Ibrahim; Nayra A M Moussa; Mohamed E A Safy
Journal:  J Mol Model       Date:  2018-07-27       Impact factor: 1.810

7.  All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane.

Authors:  Neil S Keddie; Alexandra M Z Slawin; Tomas Lebl; Douglas Philp; David O'Hagan
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Authors:  John T Yi; S Romero-Servin; Leonardo Álvarez-Valtierra; David F Plusquellic
Journal:  J Chem Phys       Date:  2020-04-14       Impact factor: 3.488

9.  Analysis of Density Functional Tight Binding with Natural Bonding Orbitals.

Authors:  Xiya Lu; Juan Duchimaza-Heredia; Qiang Cui
Journal:  J Phys Chem A       Date:  2019-08-15       Impact factor: 2.781

10.  Monosubstituted Phenylboronic Acids, R-B(OH)2 (R = C6H5, C6H4CH3, C6H4NH2, C6H4OH, and C6H4F): A Computational Investigation.

Authors:  Niny Z Rao; Joseph D Larkin; Charles W Bock
Journal:  Struct Chem       Date:  2016-12-15       Impact factor: 1.887
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