Výsledky vyhledávání - "Lung-Shing Wu"

Local analysis and comparative study of the hydrogen bonds in the linear (HCN)n and (HNC)n clusters

Autor: Min-Hsien Liu, Lung-Shing Wu, Cheng Chen

Publikováno v: Journal of Molecular Structure: THEOCHEM. 630:187-204

B3LYP/6-311+G(2d,p), the density functional theory method of gaussian 98 package, is applied to study the hydrogen bonding of a series of linear (HCN) n and (HNC) n molecular clusters (for n =1–10). By the localization analysis methods we developed

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::73efdda1d6c0d0187166cfba0028c526
https://doi.org/10.1016/s0166-1280(03)00154-4

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Theoretical Study of the Inter-ionic Hydrogen Bonding in the GZT Molecular System

Autor: Min-Hsien Liu, Cheng Chen, Sou-Ro Cheng, Lung-Shing Wu

Publikováno v: Journal of the Chinese Chemical Society. 50:765-775

Diguanidinium-5,5'-azotetrazolate (GZT) is an ionic type high energy compound, which is combined with two guanidinium cations (C(NH 2 ) 3 + or defined as G + ) and one 5,5'-azotetrazolate-2-anion (ZT 2 - ). The structure of ZT 2 - is made up of two N

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3d1c2113d89394f6553eecd9959d9e33
https://doi.org/10.1002/jccs.200300108

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