SCC-DFTB energy barriers for single and double proton transfer processes in the model molecular systems malonaldehyde and porphycene

2005 ◽  
Vol 106 (3) ◽  
pp. 636-640 ◽  
Author(s):  
Ł. Walewski ◽  
D. Krachtus ◽  
S. Fischer ◽  
J. C. Smith ◽  
P. Bała ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Energy Barriers ◽  
Molecular Systems ◽  
Transfer Processes ◽  
Double Proton Transfer

scholarly journals Double-Proton-Transfer Processes in Dithiooxamide:  UV-Induced Dithione → Dithiol Reaction and Ground-State Dithiol → Dithione Tunneling

2004 ◽  
Vol 108 (26) ◽  
pp. 5551-5558 ◽  
Author(s):  
Leszek Lapinski ◽  
Hanna Rostkowska ◽  
Artem Khvorostov ◽  
Müjgan Yaman ◽  
Rui Fausto ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Ground State ◽  
Transfer Processes ◽  
Double Proton Transfer

scholarly journals Analysis of Butyl Butyrate Mass Spectrum

2018 ◽  
Vol 10 (1) ◽  
pp. 11
Author(s):  
Abdalla Mustafa Walwil
Keyword(s):  
Mass Spectrum ◽  
Proton Transfer ◽  
Educational Work ◽  
Butyl Butyrate ◽  
Chemistry Students ◽  
Double Proton Transfer

The aim of this educational work is targeting chemistry students and interested instructors. The presented work will analyze the mass spectrum of butyl butyrate (butyl butanoate). The analysis will concentrate on the mechanisms showing how the characteristic fragments are formed. The mechanisms discussed in this paper include α-cleavage, β-cleavage, McLafferty Rearrangements, first and second proton transfer, a double proton transfer. 

Heavy mass effect on excited-state double-proton transfer in the 7-azaindole dimer by Cl substitution

2007 ◽  
Vol 441 (4-6) ◽  
pp. 176-180 ◽  
Author(s):  
Xuan Zhang ◽  
Yusuke Komoto ◽  
Kenji Sakota ◽  
Masayuki Nakagaki ◽  
Haruyuki Nakano ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Mass Effect ◽  
Double Proton Transfer
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