From Saturated BN Compounds to Isoelectronic BN/CC Counterparts: An Insight from Computational Perspective.

Sagan, Filip; Piekos, Lukasz; Andrzejak, Marcin; Mitoraj, Mariusz Pawel

Sagan, Filip; Piekos, Lukasz; Andrzejak, Marcin; Mitoraj, Mariusz Pawel.

Afiliação

Sagan F; Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, R. Ingardena 3, 30-060 Cracow (Poland).
Piekos L; Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, R. Ingardena 3, 30-060 Cracow (Poland).
Andrzejak M; Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, R. Ingardena 3, 30-060 Cracow (Poland).
Mitoraj MP; Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, R. Ingardena 3, 30-060 Cracow (Poland). mitoraj@chemia.uj.edu.pl.

Chemistry ; 21(43): 15299-307, 2015 Oct 19.

Article em En | MEDLINE | ID: mdl-26336944

Palavras-chave

decomposition schemes; dihydrogen bonds; dynamics simulations; hydrogen; static simulations

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Chemistry Assunto da revista: QUIMICA Ano de publicação: 2015 Tipo de documento: Article

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