Ab initio Study of Cyanoguanidine Isomers Full article
Journal |
Chemical Physics Letters
ISSN: 0009-2614 , E-ISSN: 1873-4448 |
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Output data | Year: 1995, Volume: 240, Number: 4, Pages: 239-244 Pages count : 6 DOI: 10.1016/0009-2614(95)00538-F | ||||
Tags | Ab initio | ||||
Authors |
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Affiliations |
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Funding (1)
1 | International Science Foundation | RAD000 |
Abstract:
An ab initio quantum chemical study of the geometric structure and stability of cyanoguanidine isomers was carried out at the Hartree-Fock and Møller-Plesset levels of theory. Two stable separable isomers (‘cyanioime’ and ‘cyanoamine’) are found. This gives evidence in favour of the vibrational spectroscopy data showing the existence of both isomers.
Cite:
Arbuznikov A.V.
, Sheludyakova L.A.
, Burgina E.B.
Ab initio Study of Cyanoguanidine Isomers
Chemical Physics Letters. 1995. V.240. N4. P.239-244. DOI: 10.1016/0009-2614(95)00538-F WOS Scopus РИНЦ
Ab initio Study of Cyanoguanidine Isomers
Chemical Physics Letters. 1995. V.240. N4. P.239-244. DOI: 10.1016/0009-2614(95)00538-F WOS Scopus РИНЦ
Dates:
Submitted: | Dec 1, 1994 |
Accepted: | Apr 21, 1995 |
Published print: | Jun 30, 1995 |
Published online: | Jan 20, 2000 |
Identifiers:
Web of science | WOS:A1995RG42300001 |
Scopus | 2-s2.0-4243399661 |
Elibrary | 30893876 |
Chemical Abstracts | 1995:668684 |
Chemical Abstracts (print) | 123:284920 |
OpenAlex | W1979181977 |