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The Journal of Physical Chemistry. B
|
March 9, 2018
Improvement of the ReaxFF Description for Functionalized Hydrocarbon/Water Weak Interactions in the Condensed Phase
Weiwei Zhang, Adri C T van Duin
The Journal of Physical Chemistry. A
|
January 26, 2011
Development and application of a ReaxFF reactive force field for hydrogen combustion
Satyam Agrawalla, Adri C T van Duin
The Journal of Physical Chemistry. A
|
January 11, 2017
Extension of the ReaxFF Combustion Force Field toward Syngas Combustion and Initial Oxidation Kinetics
Chowdhury Ashraf, Adri C T van Duin
The Journal of Physical Chemistry. B
|
June 2, 2017
Second-Generation ReaxFF Water Force Field: Improvements in the Description of Water Density and OH-Anion Diffusion
Weiwei Zhang, Adri C T van Duin
The Journal of Physical Chemistry. A
|
June 12, 2013
Simulation of titanium metal/titanium dioxide etching with chlorine and hydrogen chloride gases using the ReaxFF reactive force field
Sung-Yup Kim, Adri C T van Duin
Journal of the American Chemical Society
|
January 12, 2012
Dynamics of confined reactive water in smectite clay-zeolite composites
Michael C Pitman, Adri C T van Duin
The Journal of Physical Chemistry. A
|
September 28, 2011
Molecular-dynamics-based study of the collisions of hyperthermal atomic oxygen with graphene using the ReaxFF reactive force field
Sriram Goverapet Srinivasan, Adri C T van Duin
The Journal of Physical Chemistry. A
|
January 20, 2022
ReaxFF Force Field Development for Gas-Phase hBN Nanostructure Synthesis
Aditya Lele, Predrag Krstic, Adri C T van Duin
The Journal of Physical Chemistry Letters
|
September 7, 2018
Isotope Effects in Water: Differences of Structure, Dynamics, Spectrum, and Proton Transport between Heavy and Light Water from ReaxFF Reactive Force Field Simulations
Weiwei Zhang, Xing Chen, Adri C T van Duin
Physical Chemistry Chemical Physics : PCCP
|
November 4, 2021
Understanding physical chemistry of Ba<sub></sub>Sr<sub>1-</sub>TiO<sub>3</sub> using ReaxFF molecular dynamics simulations
Dooman Akbarian, Nadire Nayir, Adri C T van Duin
Page
of 25
Search research articles
Search
Showing results (1-10 of 246) with videos related to
Sort By:
Page
of 25
The Journal of Physical Chemistry. B
|
March 9, 2018
Improvement of the ReaxFF Description for Functionalized Hydrocarbon/Water Weak Interactions in the Condensed Phase
Weiwei Zhang, Adri C T van Duin
The Journal of Physical Chemistry. A
|
January 26, 2011
Development and application of a ReaxFF reactive force field for hydrogen combustion
Satyam Agrawalla, Adri C T van Duin
The Journal of Physical Chemistry. A
|
January 11, 2017
Extension of the ReaxFF Combustion Force Field toward Syngas Combustion and Initial Oxidation Kinetics
Chowdhury Ashraf, Adri C T van Duin
The Journal of Physical Chemistry. B
|
June 2, 2017
Second-Generation ReaxFF Water Force Field: Improvements in the Description of Water Density and OH-Anion Diffusion
Weiwei Zhang, Adri C T van Duin
The Journal of Physical Chemistry. A
|
June 12, 2013
Simulation of titanium metal/titanium dioxide etching with chlorine and hydrogen chloride gases using the ReaxFF reactive force field
Sung-Yup Kim, Adri C T van Duin
Journal of the American Chemical Society
|
January 12, 2012
Dynamics of confined reactive water in smectite clay-zeolite composites
Michael C Pitman, Adri C T van Duin
The Journal of Physical Chemistry. A
|
September 28, 2011
Molecular-dynamics-based study of the collisions of hyperthermal atomic oxygen with graphene using the ReaxFF reactive force field
Sriram Goverapet Srinivasan, Adri C T van Duin
The Journal of Physical Chemistry. A
|
January 20, 2022
ReaxFF Force Field Development for Gas-Phase hBN Nanostructure Synthesis
Aditya Lele, Predrag Krstic, Adri C T van Duin
The Journal of Physical Chemistry Letters
|
September 7, 2018
Isotope Effects in Water: Differences of Structure, Dynamics, Spectrum, and Proton Transport between Heavy and Light Water from ReaxFF Reactive Force Field Simulations
Weiwei Zhang, Xing Chen, Adri C T van Duin
Physical Chemistry Chemical Physics : PCCP
|
November 4, 2021
Understanding physical chemistry of Ba<sub></sub>Sr<sub>1-</sub>TiO<sub>3</sub> using ReaxFF molecular dynamics simulations
Dooman Akbarian, Nadire Nayir, Adri C T van Duin
Page
of 25