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Acta Crystallographica. Section B, Structural Science
|
September 21, 2012
Single-crystal investigation of L-tryptophan with Z' = 16
Carl Henrik Görbitz, Karl Wilhelm Törnroos, Graeme M Day
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 31, 2009
Predicting inclusion behaviour and framework structures in organic crystals
Aurora J Cruz-Cabeza, Graeme M Day, William Jones
Chemical Science
|
June 14, 2021
Evolutionary chemical space exploration for functional materials: computational organic semiconductor discovery
Chi Y Cheng, Josh E Campbell, Graeme M Day
The Journal of Physical Chemistry. A
|
January 26, 2024
Machine-Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes
Patrick W V Butler, Roohollah Hafizi, Graeme M Day
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 30, 2008
Towards prediction of stoichiometry in crystalline multicomponent complexes
Aurora J Cruz-Cabeza, Graeme M Day, William Jones
Physical Chemistry Chemical Physics : PCCP
|
June 15, 2011
Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine
Aurora J Cruz-Cabeza, Graeme M Day, William Jones
Faraday Discussions
|
November 20, 2014
Is the equilibrium composition of mechanochemical reactions predictable using computational chemistry?
Peter J Bygrave, David H Case, Graeme M Day
The Journal of Physical Chemistry. A
|
September 4, 2020
Multifidelity Statistical Machine Learning for Molecular Crystal Structure Prediction
Olga Egorova, Roohollah Hafizi, David C Woods, et al.
Crystal Growth & Design
|
November 11, 2016
Enhanced NMR Discrimination of Pharmaceutically Relevant Molecular Crystal Forms through Fragment-Based Ab Initio Chemical Shift Predictions
Joshua D Hartman, Graeme M Day, Gregory J O Beran
Faraday Discussions
|
September 20, 2024
Predictive crystallography at scale: mapping, validating, and learning from 1000 crystal energy landscapes
Christopher R Taylor, Patrick W V Butler, Graeme M Day
Page
of 11
Search research articles
Search
Showing results (21-30 of 108) with videos related to
Sort By:
Page
of 11
Acta Crystallographica. Section B, Structural Science
|
September 21, 2012
Single-crystal investigation of L-tryptophan with Z' = 16
Carl Henrik Görbitz, Karl Wilhelm Törnroos, Graeme M Day
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 31, 2009
Predicting inclusion behaviour and framework structures in organic crystals
Aurora J Cruz-Cabeza, Graeme M Day, William Jones
Chemical Science
|
June 14, 2021
Evolutionary chemical space exploration for functional materials: computational organic semiconductor discovery
Chi Y Cheng, Josh E Campbell, Graeme M Day
The Journal of Physical Chemistry. A
|
January 26, 2024
Machine-Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes
Patrick W V Butler, Roohollah Hafizi, Graeme M Day
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 30, 2008
Towards prediction of stoichiometry in crystalline multicomponent complexes
Aurora J Cruz-Cabeza, Graeme M Day, William Jones
Physical Chemistry Chemical Physics : PCCP
|
June 15, 2011
Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine
Aurora J Cruz-Cabeza, Graeme M Day, William Jones
Faraday Discussions
|
November 20, 2014
Is the equilibrium composition of mechanochemical reactions predictable using computational chemistry?
Peter J Bygrave, David H Case, Graeme M Day
The Journal of Physical Chemistry. A
|
September 4, 2020
Multifidelity Statistical Machine Learning for Molecular Crystal Structure Prediction
Olga Egorova, Roohollah Hafizi, David C Woods, et al.
Crystal Growth & Design
|
November 11, 2016
Enhanced NMR Discrimination of Pharmaceutically Relevant Molecular Crystal Forms through Fragment-Based Ab Initio Chemical Shift Predictions
Joshua D Hartman, Graeme M Day, Gregory J O Beran
Faraday Discussions
|
September 20, 2024
Predictive crystallography at scale: mapping, validating, and learning from 1000 crystal energy landscapes
Christopher R Taylor, Patrick W V Butler, Graeme M Day
Page
of 11