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Journal of Chemical Theory and Computation
|
June 30, 2017
Flexible Force Field Parameterization through Fitting on the Ab Initio-Derived Elastic Tensor
Jurn Heinen, Nicholas C Burtch, Krista S Walton, et al.
Journal of Chemical Theory and Computation
|
May 19, 2017
Behavior of the Enthalpy of Adsorption in Nanoporous Materials Close to Saturation Conditions
Ariana Torres-Knoop, Ali Poursaeidesfahani, Thijs J H Vlugt, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 8, 2015
Aqueous Solutions of Ionic Liquids: Microscopic Assembly
Jose Manuel Vicent-Luna, David Dubbeldam, Paula Gómez-Álvarez, et al.
Angewandte Chemie (International Ed. in English)
|
May 10, 2007
Exceptional negative thermal expansion in isoreticular metal-organic frameworks
David Dubbeldam, Krista S Walton, Donald E Ellis, et al.
Journal of Chemical Theory and Computation
|
March 2, 2016
Direct Free Energy Calculation in the Continuous Fractional Component Gibbs Ensemble
Ali Poursaeidesfahani, Ariana Torres-Knoop, David Dubbeldam, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 15, 2011
Molecular simulation investigation into the performance of Cu-BTC metal-organic frameworks for carbon dioxide-methane separations
Juan José Gutiérrez-Sevillano, Alejandro Caro-Pérez, David Dubbeldam, et al.
Angewandte Chemie (International Ed. in English)
|
November 11, 2006
A computational method to characterize framework aluminum in aluminosilicates
Elena García-Pérez, David Dubbeldam, Bei Liu, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
April 12, 2021
Competitive Adsorption of Xylenes at Chemical Equilibrium in Zeolites
Sebastián Caro-Ortiz, Erik Zuidema, Marcello Rigutto, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
November 18, 2017
Mechanical Properties in Metal-Organic Frameworks: Emerging Opportunities and Challenges for Device Functionality and Technological Applications
Nicholas C Burtch, Jurn Heinen, Thomas D Bennett, et al.
Dalton Transactions (Cambridge, England : 2003)
|
September 14, 2021
Correction: Role of additives and solvents in the synthesis of chiral isoreticular MOF-74 topologies
Andreea Gheorghe, Suzanne Reus, Mark Koenis, et al.
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of 6
Search research articles
Search
Showing results (11-20 of 56) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
June 30, 2017
Flexible Force Field Parameterization through Fitting on the Ab Initio-Derived Elastic Tensor
Jurn Heinen, Nicholas C Burtch, Krista S Walton, et al.
Journal of Chemical Theory and Computation
|
May 19, 2017
Behavior of the Enthalpy of Adsorption in Nanoporous Materials Close to Saturation Conditions
Ariana Torres-Knoop, Ali Poursaeidesfahani, Thijs J H Vlugt, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 8, 2015
Aqueous Solutions of Ionic Liquids: Microscopic Assembly
Jose Manuel Vicent-Luna, David Dubbeldam, Paula Gómez-Álvarez, et al.
Angewandte Chemie (International Ed. in English)
|
May 10, 2007
Exceptional negative thermal expansion in isoreticular metal-organic frameworks
David Dubbeldam, Krista S Walton, Donald E Ellis, et al.
Journal of Chemical Theory and Computation
|
March 2, 2016
Direct Free Energy Calculation in the Continuous Fractional Component Gibbs Ensemble
Ali Poursaeidesfahani, Ariana Torres-Knoop, David Dubbeldam, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 15, 2011
Molecular simulation investigation into the performance of Cu-BTC metal-organic frameworks for carbon dioxide-methane separations
Juan José Gutiérrez-Sevillano, Alejandro Caro-Pérez, David Dubbeldam, et al.
Angewandte Chemie (International Ed. in English)
|
November 11, 2006
A computational method to characterize framework aluminum in aluminosilicates
Elena García-Pérez, David Dubbeldam, Bei Liu, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
April 12, 2021
Competitive Adsorption of Xylenes at Chemical Equilibrium in Zeolites
Sebastián Caro-Ortiz, Erik Zuidema, Marcello Rigutto, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
November 18, 2017
Mechanical Properties in Metal-Organic Frameworks: Emerging Opportunities and Challenges for Device Functionality and Technological Applications
Nicholas C Burtch, Jurn Heinen, Thomas D Bennett, et al.
Dalton Transactions (Cambridge, England : 2003)
|
September 14, 2021
Correction: Role of additives and solvents in the synthesis of chiral isoreticular MOF-74 topologies
Andreea Gheorghe, Suzanne Reus, Mark Koenis, et al.
Page
of 6