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The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
February 19, 2019
Polarizable Force Field for CO<sub>2</sub> in M-MOF-74 Derived from Quantum Mechanics
Tim M Becker, Li-Chiang Lin, David Dubbeldam, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
A Comparison of Advanced Monte Carlo Methods for Open Systems: CFCMC vs CBMC
Ariana Torres-Knoop, Sayee Prasaad Balaji, Thijs J H Vlugt, et al.
Dalton Transactions (Cambridge, England : 2003)
|
September 14, 2021
Role of additives and solvents in the synthesis of chiral isoreticular MOF-74 topologies
Andreea Gheorghe, Suzanne Reus, Mark Koenis, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 3, 2016
Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory
Jurn Heinen, Nicholas C Burtch, Krista S Walton, et al.
Journal of Chemical Theory and Computation
|
January 31, 2020
Multiple Free Energy Calculations from Single State Point Continuous Fractional Component Monte Carlo Simulation Using Umbrella Sampling
Ahmadreza Rahbari, Remco Hens, Othonas A Moultos, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 16, 2014
Entropic separations of mixtures of aromatics by selective face-to-face molecular stacking in one-dimensional channels of metal-organic frameworks and zeolites
Ariana Torres-Knoop, Salvador R G Balestra, Rajamani Krishna, et al.
The Journal of Physical Chemistry. B
|
July 7, 2012
Simulation study on the adsorption properties of linear alkanes on closed nanotube bundles
James J Cannon, Thijs J H Vlugt, David Dubbeldam, et al.
Journal of Chemical Theory and Computation
|
July 25, 2017
Efficient Application of Continuous Fractional Component Monte Carlo in the Reaction Ensemble
Ali Poursaeidesfahani, Remco Hens, Ahmadreza Rahbari, et al.
The Journal of Chemical Physics
|
July 24, 2010
Distance and angular holonomic constraints in molecular simulations
David Dubbeldam, Gloria A E Oxford, Rajamani Krishna, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 21, 2022
The Influence of UiO-66 Metal-Organic Framework Structural Defects on Adsorption and Separation of Hexane Isomers
Andrzej Sławek, Gabriela Jajko, Karolina Ogorzały, et al.
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of 6
Search research articles
Search
Showing results (21-30 of 56) with videos related to
Sort By:
Page
of 6
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
February 19, 2019
Polarizable Force Field for CO<sub>2</sub> in M-MOF-74 Derived from Quantum Mechanics
Tim M Becker, Li-Chiang Lin, David Dubbeldam, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
A Comparison of Advanced Monte Carlo Methods for Open Systems: CFCMC vs CBMC
Ariana Torres-Knoop, Sayee Prasaad Balaji, Thijs J H Vlugt, et al.
Dalton Transactions (Cambridge, England : 2003)
|
September 14, 2021
Role of additives and solvents in the synthesis of chiral isoreticular MOF-74 topologies
Andreea Gheorghe, Suzanne Reus, Mark Koenis, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 3, 2016
Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory
Jurn Heinen, Nicholas C Burtch, Krista S Walton, et al.
Journal of Chemical Theory and Computation
|
January 31, 2020
Multiple Free Energy Calculations from Single State Point Continuous Fractional Component Monte Carlo Simulation Using Umbrella Sampling
Ahmadreza Rahbari, Remco Hens, Othonas A Moultos, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 16, 2014
Entropic separations of mixtures of aromatics by selective face-to-face molecular stacking in one-dimensional channels of metal-organic frameworks and zeolites
Ariana Torres-Knoop, Salvador R G Balestra, Rajamani Krishna, et al.
The Journal of Physical Chemistry. B
|
July 7, 2012
Simulation study on the adsorption properties of linear alkanes on closed nanotube bundles
James J Cannon, Thijs J H Vlugt, David Dubbeldam, et al.
Journal of Chemical Theory and Computation
|
July 25, 2017
Efficient Application of Continuous Fractional Component Monte Carlo in the Reaction Ensemble
Ali Poursaeidesfahani, Remco Hens, Ahmadreza Rahbari, et al.
The Journal of Chemical Physics
|
July 24, 2010
Distance and angular holonomic constraints in molecular simulations
David Dubbeldam, Gloria A E Oxford, Rajamani Krishna, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 21, 2022
The Influence of UiO-66 Metal-Organic Framework Structural Defects on Adsorption and Separation of Hexane Isomers
Andrzej Sławek, Gabriela Jajko, Karolina Ogorzały, et al.
Page
of 6