Catalytic effect of water, water dimer, or formic acid on the tautomerization of nitroguanidine

2014 ◽  
Vol 1049 ◽  
pp. 90-96 ◽  
Author(s):  
Benni Du ◽  
Weichao Zhang
Keyword(s):  
Formic Acid ◽  
Catalytic Effect ◽  
Water Dimer ◽  
Effect Of Water

Catalytic effect of water, water dimer, HCOOH and H2SO4 on the isomerisation of HON(O)NNO2 to ON(OH)NNO2: a mechanism study

2018 ◽  
Vol 44 (18) ◽  
pp. 1544-1553 ◽  
Author(s):  
Tian-lei Zhang ◽  
Xin-guang Lan ◽  
Ming-jie Wen ◽  
Yong-qi Zhang ◽  
Rui Wang ◽  
...  
Keyword(s):  
Catalytic Effect ◽  
Water Dimer ◽  
Mechanism Study ◽  
Effect Of Water

High level ab initio investigation of the catalytic effect of water on formic acid decomposition and isomerization

2020 ◽  
Vol 22 (44) ◽  
pp. 25638-25651
Author(s):  
Mark E. Wolf ◽  
Justin M. Turney ◽  
Henry F. Schaefer
Keyword(s):  
Water Molecule ◽  
Formic Acid ◽  
Ab Initio ◽  
Catalytic Effect ◽  
Acid Decomposition ◽  
Effect Of Water ◽  
Formic Acid Decomposition ◽  
High Level

The formic acid decomposition pathways which can be catalyzed by the presence of a water molecule.

Catalytic effect of water, water dimer, water trimer, HCOOH, H2SO4, CH3CH2COOH and HN(NO2)2 on the isomerisation of HN(NO2)2 to O2NNN(O)OH: a mechanism study

2017 ◽  
Vol 115 (13) ◽  
pp. 1493-1501 ◽  
Author(s):  
Rui Wang ◽  
Zi-long Jia ◽  
Yi-ming An ◽  
Tian-lei Zhang ◽  
Zhi-yin Wang ◽  
...  
Keyword(s):  
Catalytic Effect ◽  
Water Dimer ◽  
Mechanism Study ◽  
Effect Of Water ◽  
Water Trimer

Catalytic Effect of Water and Formic Acid on the Reaction of Carbonyl Sulfide with Dimethyl Amine Under Tropospheric Conditions

2021 ◽  
Author(s):  
Parandaman Arathala ◽  
Rabi Ann Musah
Keyword(s):  
Formic Acid ◽  
Catalytic Effect ◽  
Carbonyl Sulfide ◽  
Methyl Amine ◽  
Effect Of Water ◽  
Dimethyl Amine

CCSD(T)/aug-cc-pVTZ//M06-2X/aug-cc-pVTZ calculations were performed on the addition of amines [i.e. ammonia (NH3), methyl amine (MA), and dimethyl amine (DMA)] to carbonyl sulfide (OCS), followed by transfer of the amine H-atom...

The catalytic effect of water, water dimers and water trimers on H2S +3O2formation by the HO2+ HS reaction under tropospheric conditions

2016 ◽  
Vol 18 (26) ◽  
pp. 17414-17427 ◽  
Author(s):  
Tianlei Zhang ◽  
Chen Yang ◽  
Xukai Feng ◽  
Jiaxin Kang ◽  
Liang Song ◽  
...  
Keyword(s):  
Water Vapor ◽  
Catalytic Effect ◽  
Vapor Molecule ◽  
Effect Of Water ◽  
Water Vapor Molecule ◽  
Water Dimers

Catalyst X (X = H2O, (H2O)2and (H2O)3) is incorporated into the channel of H2S +3O2formation and the catalytic effect of water, water dimers and water trimers is mainly taken from the contribution of a single water vapor molecule.

scholarly journals On the Catalytic Effect of Water in the Intramolecular Diels–Alder Reaction of Quinone Systems: A Theoretical Study

Molecules ◽  
2012 ◽  
Vol 17 (11) ◽  
pp. 13687-13703 ◽  
Author(s):  
Jorge Soto-Delgado ◽  
Arie Aizman ◽  
Renato Contreras ◽  
Luis Domingo
Keyword(s):  
Catalytic Effect ◽  
Theoretical Study ◽  
Alder Reaction ◽  
Diels Alder ◽  
Effect Of Water ◽  
Diels Alder Reaction
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