Response to comment on "Superposition of waves or densities : Which is the nature of chemical resonance?"

© 2021 Wiley Periodicals LLC.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 42(2021), 19 vom: 15. Juli, Seite 1341-1343
1. Verfasser: Wang, Yang (VerfasserIn)
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2021
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Letter chemical bonding natural resonance theory resonance theory valence bond theory wave function analysis
LEADER 01000naa a22002652 4500
001 NLM325956561
003 DE-627
005 20231225193539.0
007 cr uuu---uuuuu
008 231225s2021 xx |||||o 00| ||eng c
024 7 |a 10.1002/jcc.26523  |2 doi 
028 5 2 |a pubmed24n1086.xml 
035 |a (DE-627)NLM325956561 
035 |a (NLM)34046913 
040 |a DE-627  |b ger  |c DE-627  |e rakwb 
041 |a eng 
100 1 |a Wang, Yang  |e verfasserin  |4 aut 
245 1 0 |a Response to comment on "Superposition of waves or densities  |b Which is the nature of chemical resonance?" 
264 1 |c 2021 
336 |a Text  |b txt  |2 rdacontent 
337 |a ƒaComputermedien  |b c  |2 rdamedia 
338 |a ƒa Online-Ressource  |b cr  |2 rdacarrier 
500 |a Date Revised 15.06.2021 
500 |a published: Print-Electronic 
500 |a Citation Status PubMed-not-MEDLINE 
520 |a © 2021 Wiley Periodicals LLC. 
520 |a I reply to the comment by Weinhold and Glendening on the article (J. Comput. Chem. 2021, 42, 412). I provide further explanation and an additional numerical example to support my previous assertion that the present form of natural resonance theory is fundamentally flawed, at least within the DFT framework 
650 4 |a Letter 
650 4 |a chemical bonding 
650 4 |a natural resonance theory 
650 4 |a resonance theory 
650 4 |a valence bond theory 
650 4 |a wave function analysis 
773 0 8 |i Enthalten in  |t Journal of computational chemistry  |d 1984  |g 42(2021), 19 vom: 15. Juli, Seite 1341-1343  |w (DE-627)NLM098138448  |x 1096-987X  |7 nnns 
773 1 8 |g volume:42  |g year:2021  |g number:19  |g day:15  |g month:07  |g pages:1341-1343 
856 4 0 |u http://dx.doi.org/10.1002/jcc.26523  |3 Volltext 
912 |a GBV_USEFLAG_A 
912 |a SYSFLAG_A 
912 |a GBV_NLM 
912 |a GBV_ILN_350 
951 |a AR 
952 |d 42  |j 2021  |e 19  |b 15  |c 07  |h 1341-1343