A critical assessment of closed- and open-shell heterocyclobutadienes

Rama K. Mishra; Bijay K. Mishra

doi:10.1016/0009-2614(88)80066-6

A critical assessment of closed- and open-shell heterocyclobutadienes

Rama K. Mishra^*, Bijay K. Mishra

^*Corresponding author for this work

Biochemistry and Molecular Genetics

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

The definition of topological resonance energy (TRE) has been modified and new TRE values have been calculated for closed-and open-shell configurations of heterocyclobutadienes. The quantum chemical parameters of these molecules and their dissected counterparts have been evaluated.

Original language	English (US)
Pages (from-to)	44-46
Number of pages	3
Journal	Chemical Physics Letters
Volume	151
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(88)80066-6
State	Published - Oct 7 1988

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "A critical assessment of closed- and open-shell heterocyclobutadienes",

abstract = "The definition of topological resonance energy (TRE) has been modified and new TRE values have been calculated for closed-and open-shell configurations of heterocyclobutadienes. The quantum chemical parameters of these molecules and their dissected counterparts have been evaluated.",

author = "Mishra, {Rama K.} and Mishra, {Bijay K.}",

year = "1988",

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AU - Mishra, Rama K.

AU - Mishra, Bijay K.

PY - 1988/10/7

Y1 - 1988/10/7

N2 - The definition of topological resonance energy (TRE) has been modified and new TRE values have been calculated for closed-and open-shell configurations of heterocyclobutadienes. The quantum chemical parameters of these molecules and their dissected counterparts have been evaluated.

AB - The definition of topological resonance energy (TRE) has been modified and new TRE values have been calculated for closed-and open-shell configurations of heterocyclobutadienes. The quantum chemical parameters of these molecules and their dissected counterparts have been evaluated.

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M3 - Article

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EP - 46

JO - Chemical Physics Letters

JF - Chemical Physics Letters

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A critical assessment of closed- and open-shell heterocyclobutadienes

Abstract

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