scholarly journals Gas-phase reaction between calcium monocation and fluoromethane: Analysis of the potential energy hypersurface and kinetics calculations

2009 ◽  
Vol 131 (14) ◽  
pp. 144309 ◽  
Author(s):  
Adrián Varela-Álvarez ◽  
V. M. Rayón ◽  
P. Redondo ◽  
C. Barrientos ◽  
José A. Sordo
Keyword(s):  
Potential Energy ◽  
Gas Phase ◽  
Phase Reaction ◽  
Gas Phase Reaction ◽  
Energy Hypersurface ◽  
Potential Energy Hypersurface

Exploring the potential energy hypersurface of histamine monocation: Tautomerism in gas phase

1990 ◽  
Vol 38 (5) ◽  
pp. 727-740 ◽  
Author(s):  
O. Tapia ◽  
R. Cárdenas ◽  
Y. G. Smeyers ◽  
A. Hernández-Laguna ◽  
J. J. Rández ◽  
...  
Keyword(s):  
Potential Energy ◽  
Gas Phase ◽  
Energy Hypersurface ◽  
Potential Energy Hypersurface

Potential energy surface and thermochemistry for the direct gas phase reaction of germane and water

2009 ◽  
Vol 20 (5) ◽  
pp. 851-858 ◽  
Author(s):  
Bhaskar Mondal ◽  
Indranil Bhattacharyya ◽  
Deepanwita Ghosh ◽  
Abhijit K. Das
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Gas Phase ◽  
Energy Surface ◽  
Phase Reaction ◽  
Gas Phase Reaction

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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