A quantum chemical study of the formation of cyanide (CN−) and acetate () ions in astrophysical ices via proton transfer from HCN, HNC, or CH3COOH to NH3

2012 ◽  
Vol 984 ◽  
pp. 108-112 ◽  
Author(s):  
David E. Woon
Keyword(s):  
Proton Transfer ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Astrophysical Ices

scholarly journals The influence of isolated and penta-hydrated Zn2+ on some of the intramolecular proton-transfer processes of thymine: a quantum chemical study

RSC Advances ◽  
2018 ◽  
Vol 8 (20) ◽  
pp. 11021-11026 ◽  
Author(s):  
Dejie Li ◽  
Ying Han ◽  
Huijuan Li ◽  
Ping Zhang ◽  
Qi Kang ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Intramolecular Proton Transfer ◽  
Transfer Processes ◽  
Dft Modeling

The influence of isolated and penta-hydrated Zn2+ on some of the intramolecular proton-transfer processes of thymine is investigated by DFT modeling.

scholarly journals Do the fragments from decomposed ZIF-8 greatly affect some of the intramolecular proton-transfer of thymine? A quantum chemical study

RSC Advances ◽  
2018 ◽  
Vol 8 (48) ◽  
pp. 27227-27234 ◽  
Author(s):  
Dejie Li ◽  
Ying Han ◽  
Huijuan Li ◽  
Ping Zhang ◽  
Qi Kang ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Intramolecular Proton Transfer ◽  
Dft Modeling

Investigations on whether fragments from decomposed ZIF-8 would affect the intramolecular proton-transfer of thymine by DFT modeling.

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