Computational study of the I2O5+ H2O = 2 HOIO2 gas-phase reaction

2016 ◽  
Vol 662 ◽  
pp. 114-119 ◽  
Author(s):  
Sarah Khanniche ◽  
Florent Louis ◽  
Laurent Cantrel ◽  
Ivan Černušák
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Phase Reaction ◽  
Gas Phase Reaction

A computational study on the gas phase reaction of Os+ with N2O

2009 ◽  
Vol 20 (8) ◽  
pp. 1010-1014 ◽  
Author(s):  
Tao Hong Li ◽  
Chuan Ming Wang ◽  
Shi Wen Yu ◽  
Xiang Yi Liu ◽  
Hui Fu ◽  
...  
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Phase Reaction ◽  
Gas Phase Reaction

Computational study on the mechanism for the gas-phase reaction of dimethyl disulfide with OH

2010 ◽  
Vol 111 (3) ◽  
pp. 644-651 ◽  
Author(s):  
Wenliang Wang ◽  
Jingfan Xin ◽  
Yue Zhang ◽  
Weina Wang ◽  
Yanxia Lu
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Dimethyl Disulfide ◽  
Phase Reaction ◽  
Gas Phase Reaction

Experimental and Computational Study of the Gas-Phase Reaction of O(1D) Atoms with VF5

2013 ◽  
Vol 117 (5) ◽  
pp. 814-820
Author(s):  
Asylkhan A. Rakhymzhan ◽  
Alexey I. Chichinin ◽  
Vitaly G. Kiselev ◽  
Nina P. Gritsan
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Phase Reaction ◽  
Gas Phase Reaction

Computational study of the gas phase reaction of hydrogen azide and corannulene: A DFT study

2015 ◽  
Vol 1070 ◽  
pp. 94-101 ◽  
Author(s):  
Adel Reisi-Vanani ◽  
Somayeh Rahimi ◽  
Syamak Nasiri Kokhdan ◽  
Hossein Ebrahimpour-Komleh
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Dft Study ◽  
Phase Reaction ◽  
Gas Phase Reaction ◽  
Hydrogen Azide

Prediction of Alkanolamine pKa Values by Combined Molecular Dynamics Free Energy Simulations and ab initio Calculations

2019 ◽  
Author(s):  
Javad Noroozi ◽  
William Smith
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Ab Initio Calculations ◽  
Gas Phase ◽  
Quantum Chemical ◽  
Phase Reaction ◽  
Pka Values ◽  
Gas Phase Reaction ◽  
Reaction Free Energy ◽  
Energy Simulations

We use molecular dynamics free energy simulations in conjunction with quantum chemical calculations of gas phase reaction free energy to predict alkanolamines pka values. <br>

Metabolic alteration of Methylococcus capsulatus str. Bath during a microbial gas-phase reaction

2021 ◽  
Vol 330 ◽  
pp. 125002
Author(s):  
Yan-Yu Chen ◽  
Yuki Soma ◽  
Masahito Ishikawa ◽  
Masatomo Takahashi ◽  
Yoshihiro Izumi ◽  
...  
Keyword(s):  
Gas Phase ◽  
Phase Reaction ◽  
Methylococcus Capsulatus ◽  
Gas Phase Reaction ◽  
Metabolic Alteration

scholarly journals Influence of Water on the Gas-Phase Reaction of Dimethyl Sulfide with BrO in the Marine Boundary Layer

ACS Omega ◽  
2021 ◽  
Vol 6 (3) ◽  
pp. 2410-2419
Author(s):  
Junyao Li ◽  
Narcisse T. Tsona ◽  
Shanshan Tang ◽  
Xiuhui Zhang ◽  
Lin Du
Keyword(s):  
Boundary Layer ◽  
Gas Phase ◽  
Dimethyl Sulfide ◽  
Marine Boundary Layer ◽  
Phase Reaction ◽  
Gas Phase Reaction ◽  
Influence Of Water

Preparation of SiC hollow particles by gas-phase reaction in the SiH4-CH4-H2 system

1989 ◽  
Vol 24 (10) ◽  
pp. 3679-3685 ◽  
Author(s):  
C. H. Pai ◽  
K. Koumoto ◽  
S. Takeda ◽  
H. Yanagida
Keyword(s):  
Gas Phase ◽  
Phase Reaction ◽  
Hollow Particles ◽  
Gas Phase Reaction
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