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Journal of Chemical Physics

Volumn 114, Issue 13, 2001, Pages 5917-5922

MP2 correlation effects upon the electronic and vibrational properties of polyyne

(5) Poulsen, Tina D a Mikkelsen, Kurt V b Fripiat, Joseph G c Jacquemin, Denis c Champagne, Benoît c

a AARHUS UNIVERSITY (Denmark)

b UNIVERSITY OF COPENHAGEN (Denmark)

c UNIVERSITY OF NAMUR (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; CHEMICAL BONDS; COMPUTER SIMULATION; CRYSTAL STRUCTURE; ELASTIC MODULI; ELECTRONIC PROPERTIES; ENERGY GAP; MOLECULAR VIBRATIONS; PHASE EQUILIBRIA;

BOND LENGTH ALTERNATION; ENERGY BAND GAP; FORCE CONSTANTS; HARTREE-FOCK RESULTS; POLYYNE; VIBRATIONAL PROPERTIES;

ORGANIC POLYMERS;

EID: 0035310882 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1353550 Document Type: Article

Times cited : (28)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.