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Journal of Computational Chemistry
|
March 3, 2007
Vibrational corrections to geometries of transition metal complexes from density functional theory
Mark P Waller, Michael Bühl
Journal of Computational Chemistry
|
January 10, 2018
Yoink: An interaction-based partitioning API
Min Zheng, Mark P Waller
Journal of Molecular Graphics & Modelling
|
February 19, 2017
ChemPreview: an augmented reality-based molecular interface
Min Zheng, Mark P Waller
Journal of Computational Chemistry
|
October 31, 2012
Revealing noncovalent interactions in quantum crystallography: taurine revisited
Jack Yang, Mark P Waller
The Journal of Physical Chemistry. A
|
December 13, 2012
A systematic approach to identify cooperatively bound homotrimers
Jack Yang, Mark P Waller
Journal of Chemical Information and Modeling
|
November 20, 2012
JACOB: a dynamic database for computational chemistry benchmarking
Jack Yang, Mark P Waller
Journal of Chemical Information and Modeling
|
December 20, 2017
Rational Density Functional Selection Using Game Theory
Suzanne McAnanama-Brereton, Mark P Waller
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 31, 2017
Neural-Symbolic Machine Learning for Retrosynthesis and Reaction Prediction
Marwin H S Segler, Mark P Waller
Journal of Computational Chemistry
|
April 5, 2013
JACOB: an enterprise framework for computational chemistry
Mark P Waller, Thomas Dresselhaus, Jack Yang
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 19, 2016
Modelling Chemical Reasoning to Predict and Invent Reactions
Marwin H S Segler, Mark P Waller
Page
of 4
Search research articles
Search
Showing results (1-10 of 39) with videos related to
Sort By:
Page
of 4
Journal of Computational Chemistry
|
March 3, 2007
Vibrational corrections to geometries of transition metal complexes from density functional theory
Mark P Waller, Michael Bühl
Journal of Computational Chemistry
|
January 10, 2018
Yoink: An interaction-based partitioning API
Min Zheng, Mark P Waller
Journal of Molecular Graphics & Modelling
|
February 19, 2017
ChemPreview: an augmented reality-based molecular interface
Min Zheng, Mark P Waller
Journal of Computational Chemistry
|
October 31, 2012
Revealing noncovalent interactions in quantum crystallography: taurine revisited
Jack Yang, Mark P Waller
The Journal of Physical Chemistry. A
|
December 13, 2012
A systematic approach to identify cooperatively bound homotrimers
Jack Yang, Mark P Waller
Journal of Chemical Information and Modeling
|
November 20, 2012
JACOB: a dynamic database for computational chemistry benchmarking
Jack Yang, Mark P Waller
Journal of Chemical Information and Modeling
|
December 20, 2017
Rational Density Functional Selection Using Game Theory
Suzanne McAnanama-Brereton, Mark P Waller
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 31, 2017
Neural-Symbolic Machine Learning for Retrosynthesis and Reaction Prediction
Marwin H S Segler, Mark P Waller
Journal of Computational Chemistry
|
April 5, 2013
JACOB: an enterprise framework for computational chemistry
Mark P Waller, Thomas Dresselhaus, Jack Yang
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 19, 2016
Modelling Chemical Reasoning to Predict and Invent Reactions
Marwin H S Segler, Mark P Waller
Page
of 4