NBO 6.0: Natural bond orbital analysis program
1
Department of Chemistry and Physics; Indiana State University; Terre Haute; Indiana; 47809
|
Publication type: Journal Article
Publication date: 2013-03-09
scimago Q1
wos Q2
SJR: 0.933
CiteScore: 6.5
Impact factor: 4.8
ISSN: 01928651, 1096987X
PubMed ID:
23483590
General Chemistry
Computational Mathematics
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.
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Glendening E. D., Landis C. R., Weinhold F. NBO 6.0: Natural bond orbital analysis program // Journal of Computational Chemistry. 2013. Vol. 34. No. 16. pp. 1429-1437.
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Glendening E. D., Landis C. R., Weinhold F. NBO 6.0: Natural bond orbital analysis program // Journal of Computational Chemistry. 2013. Vol. 34. No. 16. pp. 1429-1437.
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RIS
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TY - JOUR
DO - 10.1002/jcc.23266
UR - https://doi.org/10.1002/jcc.23266
TI - NBO 6.0: Natural bond orbital analysis program
T2 - Journal of Computational Chemistry
AU - Glendening, Eric D
AU - Landis, Clark R.
AU - Weinhold, Frank
PY - 2013
DA - 2013/03/09
PB - Wiley
SP - 1429-1437
IS - 16
VL - 34
PMID - 23483590
SN - 0192-8651
SN - 1096-987X
ER -
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BibTex (up to 50 authors)
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@article{2013_Glendening,
author = {Eric D Glendening and Clark R. Landis and Frank Weinhold},
title = {NBO 6.0: Natural bond orbital analysis program},
journal = {Journal of Computational Chemistry},
year = {2013},
volume = {34},
publisher = {Wiley},
month = {mar},
url = {https://doi.org/10.1002/jcc.23266},
number = {16},
pages = {1429--1437},
doi = {10.1002/jcc.23266}
}
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MLA
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Glendening, Eric D., et al. “NBO 6.0: Natural bond orbital analysis program.” Journal of Computational Chemistry, vol. 34, no. 16, Mar. 2013, pp. 1429-1437. https://doi.org/10.1002/jcc.23266.