Phosphate ester hydrolysis: calculation of gas-phase reaction paths and solvation effects

1994 ◽  
Vol 90 (12) ◽  
pp. 1763 ◽  
Author(s):  
Annick Dejaegere ◽  
Xiaoling Liang ◽  
Martin Karplus
Keyword(s):  
Gas Phase ◽  
Ester Hydrolysis ◽  
Phosphate Ester ◽  
Phase Reaction ◽  
Reaction Paths ◽  
Solvation Effects ◽  
Gas Phase Reaction ◽  
Phosphate Ester Hydrolysis

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

scholarly journals Fabrication and Particle Size Control of Oxide Nanoparticles by Gas Phase Reaction Assisted with DC Plasma

2007 ◽  
Vol 44 (6) ◽  
pp. 447-452 ◽  
Author(s):  
Akira Watanabe ◽  
Motoharu Fujii ◽  
Masayoshi Kawahara ◽  
Takehisa Fukui ◽  
Kiyoshi Nogi
Keyword(s):  
Particle Size ◽  
Gas Phase ◽  
Size Control ◽  
Oxide Nanoparticles ◽  
Phase Reaction ◽  
Dc Plasma ◽  
Gas Phase Reaction ◽  
Particle Size Control

Formation of Carbamate Anions by the Gas-phase Reaction of Anilide Ions with CO2

2016 ◽  
Vol 27 (5) ◽  
pp. 927-939 ◽  
Author(s):  
Chongming Liu ◽  
Upul Nishshanka ◽  
Athula B. Attygalle
Keyword(s):  
Gas Phase ◽  
Phase Reaction ◽  
Gas Phase Reaction
Sign in / Sign up

Export Citation Format

Share Document