Density functional theory and topological analysis on the hydrogen bonding interactions in cysteine-thymine complexes

2010 ◽  
pp. n/a-n/a ◽  
Author(s):  
Zhengguo Huang ◽  
Lei Yu ◽  
Yumei Dai
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonding ◽  
Density Functional ◽  
Topological Analysis ◽  
Functional Theory ◽  
Hydrogen Bonding Interactions

A density functional theory study on the hydrogen bonding interactions between luteolin and ethanol

2017 ◽  
Vol 23 (8) ◽  
Author(s):  
Yan-Zhen Zheng ◽  
Jing Xu ◽  
Qin Liang ◽  
Da-Fu Chen ◽  
Rui Guo ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonding ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Hydrogen Bonding Interactions

Theoretical studies of hydrogen bonding interactions between novolac resin and DMP-30

RSC Advances ◽  
2016 ◽  
Vol 6 (115) ◽  
pp. 114560-114565 ◽  
Author(s):  
Zhang Jian ◽  
Xiaomeng Yang ◽  
Dong Chen ◽  
Yang Qian
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonding ◽  
Epoxy Resin ◽  
Density Functional ◽  
Theoretical Studies ◽  
Curing Agent ◽  
Novolac Resin ◽  
Functional Theory ◽  
Hydrogen Bonding Interactions

Hydrogen bonding complexes of novolac resin and DMP-30 were investigated with dispersion-corrected density functional theory at the B3LYP-D3/6-31G** level. The results show that the complexes can be used as a latent curing agent for epoxy resin.

Mechanism and origins of gold-catalyzed domino cyclization to spiroindolines: the role of periplanar cooperation and hydrogen bonding interactions

2020 ◽  
Vol 7 (13) ◽  
pp. 1663-1670 ◽  
Author(s):  
Yunhe Li ◽  
Xiang Zhao
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonding ◽  
Density Functional ◽  
Functional Theory ◽  
Detailed Mechanism ◽  
Hydrogen Bonding Interactions

The detailed mechanism and origins of gold-catalyzed domino cyclization to indoloazocines are systematically studied by density functional theory.

Density Functional Theory Investigation of the Contributions of π–π Stacking and Hydrogen-Bonding Interactions to the Aggregation of Model Asphaltene Compounds

2012 ◽  
Vol 26 (5) ◽  
pp. 2727-2735 ◽  
Author(s):  
Leonardo M. da Costa ◽  
Stanislav R. Stoyanov ◽  
Sergey Gusarov ◽  
Xiaoli Tan ◽  
Murray R. Gray ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonding ◽  
Density Functional ◽  
Functional Theory ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking
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