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The Journal of Physical Chemistry. A
|
November 9, 2020
Computational Investigations of Dispersion Interactions between Small Molecules and Graphene-like Flakes
Tyler J Hughes, Robert A Shaw, Salvy P Russo
The Journal of Physical Chemistry. A
|
October 5, 2016
Halogen Bonding with Phosphine: Evidence for Mulliken Inner Complexes and the Importance of Relaxation Energy
Robert A Shaw, J Grant Hill, Anthony C Legon
RSC Advances
|
October 6, 2022
A first principles examination of phosphorescence
Anjay Manian, Igor Lyskov, Robert A Shaw, et al.
The Journal of Chemical Physics
|
February 28, 2021
Efficient enumeration of bosonic configurations with applications to the calculation of non-radiative rates
Robert A Shaw, Anjay Manian, Igor Lyskov, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 21, 2022
The quantum chemical solvation of indole: accounting for strong solute-solvent interactions using implicit/explicit models
Anjay Manian, Robert A Shaw, Igor Lyskov, et al.
Journal of Chemical Theory and Computation
|
February 24, 2022
Exciton Dynamics of a Diketo-Pyrrolopyrrole Core for All Low-Lying Electronic Excited States Using Density Functional Theory-Based Methods
Anjay Manian, Robert A Shaw, Igor Lyskov, et al.
Dalton Transactions (Cambridge, England : 2003)
|
April 9, 2011
Bridged cyclophosphazenes resulting from deprotonation reactions of cyclotriphophazenes bearing a P-NH group
Serap Beşli, Simon J Coles, David B Davies, et al.
Journal of Chemical Theory and Computation
|
November 23, 2020
CHARMM-DYES: Parameterization of Fluorescent Dyes for Use with the CHARMM Force Field
Robert A Shaw, Tristan Johnston-Wood, Benjamin Ambrose, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 27, 2018
Interplay between hydrogen bonding and n→π* interaction in an analgesic drug salicin
Santosh K Singh, Prasad Ramesh Joshi, Robert A Shaw, et al.
Acta Crystallographica. Section C, Crystal Structure Communications
|
January 10, 2002
Conformational polymorphism in a chiral spiro-cis-ansa-bridged cyclotriphosphazene derivative
Simon J Coles, David B Davies, Michael B Hursthouse, et al.
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of 4
Search research articles
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Showing results (11-20 of 37) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry. A
|
November 9, 2020
Computational Investigations of Dispersion Interactions between Small Molecules and Graphene-like Flakes
Tyler J Hughes, Robert A Shaw, Salvy P Russo
The Journal of Physical Chemistry. A
|
October 5, 2016
Halogen Bonding with Phosphine: Evidence for Mulliken Inner Complexes and the Importance of Relaxation Energy
Robert A Shaw, J Grant Hill, Anthony C Legon
RSC Advances
|
October 6, 2022
A first principles examination of phosphorescence
Anjay Manian, Igor Lyskov, Robert A Shaw, et al.
The Journal of Chemical Physics
|
February 28, 2021
Efficient enumeration of bosonic configurations with applications to the calculation of non-radiative rates
Robert A Shaw, Anjay Manian, Igor Lyskov, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 21, 2022
The quantum chemical solvation of indole: accounting for strong solute-solvent interactions using implicit/explicit models
Anjay Manian, Robert A Shaw, Igor Lyskov, et al.
Journal of Chemical Theory and Computation
|
February 24, 2022
Exciton Dynamics of a Diketo-Pyrrolopyrrole Core for All Low-Lying Electronic Excited States Using Density Functional Theory-Based Methods
Anjay Manian, Robert A Shaw, Igor Lyskov, et al.
Dalton Transactions (Cambridge, England : 2003)
|
April 9, 2011
Bridged cyclophosphazenes resulting from deprotonation reactions of cyclotriphophazenes bearing a P-NH group
Serap Beşli, Simon J Coles, David B Davies, et al.
Journal of Chemical Theory and Computation
|
November 23, 2020
CHARMM-DYES: Parameterization of Fluorescent Dyes for Use with the CHARMM Force Field
Robert A Shaw, Tristan Johnston-Wood, Benjamin Ambrose, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 27, 2018
Interplay between hydrogen bonding and n→π* interaction in an analgesic drug salicin
Santosh K Singh, Prasad Ramesh Joshi, Robert A Shaw, et al.
Acta Crystallographica. Section C, Crystal Structure Communications
|
January 10, 2002
Conformational polymorphism in a chiral spiro-cis-ansa-bridged cyclotriphosphazene derivative
Simon J Coles, David B Davies, Michael B Hursthouse, et al.
Page
of 4