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Anthony M Reilly

Showing results (11-20 of 28) with videos related to

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The Journal of Chemical Physics|May 17, 2014
Long-range correlation energy calculated from coupled atomic response functionsAlberto Ambrosetti, Anthony M Reilly, Robert A DiStasio, et al.
The Journal of Physical Chemistry. A|January 30, 2009
What makes the huge 31P-31P coupling constants in S(PF2)2 and Se(PF2)2 vary so much with temperature?Anthony M Reilly, Derek A Wann, David W H Rankin
Acta Crystallographica. Section A, Foundations of Crystallography|June 23, 2011
Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. I. Study of positional parametersAnthony M Reilly, Carole A Morrison, David W H Rankin
The Journal of Chemical Physics|April 15, 2010
Simulating thermal motion in crystalline phase-I ammoniaAnthony M Reilly, Scott Habershon, Carole A Morrison, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|March 31, 2023
Decoding Supramolecular Packing Patterns from Computed Anisotropic Deformability Maps of Molecular CrystalsReabetswe R Zwane, Joaquin Klug, Sarah Guerin, et al.
The Journal of Chemical Physics|March 10, 2010
Determination of the experimental equilibrium structure of solid nitromethane using path-integral molecular dynamics simulationsAnthony M Reilly, Scott Habershon, Carole A Morrison, et al.
Acta Crystallographica. Section A, Foundations of Crystallography|June 23, 2011
Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. II. Developing and assessing new Debye-Waller factorsAnthony M Reilly, Carole A Morrison, David W H Rankin, et al.
Beilstein Journal of Organic Chemistry|March 7, 2018
Terahertz spectroscopy of 2,4,6-trinitrotoluene molecular solids from first principlesIdo Azuri, Anna Hirsch, Anthony M Reilly, et al.
Journal of Chemical Theory and Computation|May 5, 2018
Quantitative Prediction of Optical Absorption in Molecular Solids from an Optimally Tuned Screened Range-Separated Hybrid FunctionalArun K Manna, Sivan Refaely-Abramson, Anthony M Reilly, et al.
The Journal of Physical Chemistry. A|August 4, 2009
Experimental equilibrium structures: application of molecular dynamics simulations to vibrational corrections for gas electron diffractionDerek A Wann, Alexander V Zakharov, Anthony M Reilly, et al.
Pageof 3

Showing results (11-20 of 28) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|May 17, 2014
Long-range correlation energy calculated from coupled atomic response functionsAlberto Ambrosetti, Anthony M Reilly, Robert A DiStasio, et al.
The Journal of Physical Chemistry. A|January 30, 2009
What makes the huge 31P-31P coupling constants in S(PF2)2 and Se(PF2)2 vary so much with temperature?Anthony M Reilly, Derek A Wann, David W H Rankin
Acta Crystallographica. Section A, Foundations of Crystallography|June 23, 2011
Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. I. Study of positional parametersAnthony M Reilly, Carole A Morrison, David W H Rankin
The Journal of Chemical Physics|April 15, 2010
Simulating thermal motion in crystalline phase-I ammoniaAnthony M Reilly, Scott Habershon, Carole A Morrison, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|March 31, 2023
Decoding Supramolecular Packing Patterns from Computed Anisotropic Deformability Maps of Molecular CrystalsReabetswe R Zwane, Joaquin Klug, Sarah Guerin, et al.
The Journal of Chemical Physics|March 10, 2010
Determination of the experimental equilibrium structure of solid nitromethane using path-integral molecular dynamics simulationsAnthony M Reilly, Scott Habershon, Carole A Morrison, et al.
Acta Crystallographica. Section A, Foundations of Crystallography|June 23, 2011
Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. II. Developing and assessing new Debye-Waller factorsAnthony M Reilly, Carole A Morrison, David W H Rankin, et al.
Beilstein Journal of Organic Chemistry|March 7, 2018
Terahertz spectroscopy of 2,4,6-trinitrotoluene molecular solids from first principlesIdo Azuri, Anna Hirsch, Anthony M Reilly, et al.
Journal of Chemical Theory and Computation|May 5, 2018
Quantitative Prediction of Optical Absorption in Molecular Solids from an Optimally Tuned Screened Range-Separated Hybrid FunctionalArun K Manna, Sivan Refaely-Abramson, Anthony M Reilly, et al.
The Journal of Physical Chemistry. A|August 4, 2009
Experimental equilibrium structures: application of molecular dynamics simulations to vibrational corrections for gas electron diffractionDerek A Wann, Alexander V Zakharov, Anthony M Reilly, et al.
Pageof 3