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RSC Advances
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July 22, 2024
An automated protocol to construct flexibility parameters for classical forcefields: applications to metal-organic frameworks
Reza Ghanavati, Alma C Escobosa, Thomas A Manz
ACS Omega
|
August 29, 2019
Synthesis and Characterization of <i>N</i>,<i>N</i>'-Bismesityl Phenanthrene-9,10-diimine and Imine-Nitrone
Chao Dong, Diane A Dickie, William A Maio, et al.
Journal of Chemical Information and Modeling
|
November 17, 2021
Parametrization of Nonbonded Force Field Terms for Metal-Organic Frameworks Using Machine Learning Approach
Vadim V Korolev, Yuriy M Nevolin, Thomas A Manz, et al.
RSC Advances
|
May 6, 2022
New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 1. Theory and accuracy
Thomas A Manz, Taoyi Chen, Daniel J Cole, et al.
Dalton Transactions (Cambridge, England : 2003)
|
February 11, 2005
The nature of aryloxide and arylsulfide ligand bonding in dimethyltitanium complexes containing cyclopentadienyl ligation
Thomas A Manz, Andrew E Fenwick, Khamphee Phomphrai, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Expanding the Scope of Density Derived Electrostatic and Chemical Charge Partitioning to Thousands of Atoms
Louis P Lee, Nidia Gabaldon Limas, Daniel J Cole, et al.
ACS Omega
|
May 18, 2026
Porous Metals Formed by Leaching Mn-Ni Alloys
Thomas A Manz, David R Gaskell, Kevin P Trumble, et al.
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Search research articles
Search
Showing results (21-30 of 27) with videos related to
Sort By:
Page
of 3
You have reached the last page of results.
This site can display upto 27 results.
RSC Advances
|
July 22, 2024
An automated protocol to construct flexibility parameters for classical forcefields: applications to metal-organic frameworks
Reza Ghanavati, Alma C Escobosa, Thomas A Manz
ACS Omega
|
August 29, 2019
Synthesis and Characterization of <i>N</i>,<i>N</i>'-Bismesityl Phenanthrene-9,10-diimine and Imine-Nitrone
Chao Dong, Diane A Dickie, William A Maio, et al.
Journal of Chemical Information and Modeling
|
November 17, 2021
Parametrization of Nonbonded Force Field Terms for Metal-Organic Frameworks Using Machine Learning Approach
Vadim V Korolev, Yuriy M Nevolin, Thomas A Manz, et al.
RSC Advances
|
May 6, 2022
New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 1. Theory and accuracy
Thomas A Manz, Taoyi Chen, Daniel J Cole, et al.
Dalton Transactions (Cambridge, England : 2003)
|
February 11, 2005
The nature of aryloxide and arylsulfide ligand bonding in dimethyltitanium complexes containing cyclopentadienyl ligation
Thomas A Manz, Andrew E Fenwick, Khamphee Phomphrai, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Expanding the Scope of Density Derived Electrostatic and Chemical Charge Partitioning to Thousands of Atoms
Louis P Lee, Nidia Gabaldon Limas, Daniel J Cole, et al.
ACS Omega
|
May 18, 2026
Porous Metals Formed by Leaching Mn-Ni Alloys
Thomas A Manz, David R Gaskell, Kevin P Trumble, et al.
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of 3