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The Journal of Physical Chemistry. A
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March 22, 2022
Structure Factors and Charge Density Description of Aluminum: A Quantum Crystallographic Study
Rumpa Pal, Dylan Jayatilaka, Eiji Nishibori
The Journal of Chemical Physics
|
November 9, 2010
Picture change error correction of radon atom electron density
Lukáš Bučinský, Stanislav Biskupič, Dylan Jayatilaka
Acta Crystallographica. Section A, Foundations and Advances
|
September 3, 2019
Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement
Lukáš Bučinský, Dylan Jayatilaka, Simon Grabowsky
Biophysical Journal
|
December 31, 2010
Mapping the importance of four factors in creating monovalent ion selectivity in biological molecules
Michael Thomas, Dylan Jayatilaka, Ben Corry
Physical Chemistry Chemical Physics : PCCP
|
May 11, 2011
Testing the use of molecular dynamics to simulate fluorophore motions and FRET
Evelyne Deplazes, Dylan Jayatilaka, Ben Corry
Biophysical Journal
|
October 4, 2005
A flexible approach to the calculation of resonance energy transfer efficiency between multiple donors and acceptors in complex geometries
Ben Corry, Dylan Jayatilaka, Paul Rigby
Acta Crystallographica. Section A, Foundations of Crystallography
|
April 19, 2002
Wavefunctions derived from experiment. III. Topological analysis of crystal fragments
Ian Bytheway, Daniel J Grimwood, Dylan Jayatilaka
Journal of Computational Chemistry
|
February 21, 2003
Wave functions derived from experiment. V. Investigation of electron densities, electrostatic potentials, and electron localization functions for noncentrosymmetric crystals
Daniel J Grimwood, Ian Bytheway, Dylan Jayatilaka
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
June 13, 2022
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review
Max L Davidson, Simon Grabowsky, Dylan Jayatilaka
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
June 13, 2022
X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate
Max L Davidson, Simon Grabowsky, Dylan Jayatilaka
Page
of 7
Search research articles
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Showing results (11-20 of 66) with videos related to
Sort By:
Page
of 7
The Journal of Physical Chemistry. A
|
March 22, 2022
Structure Factors and Charge Density Description of Aluminum: A Quantum Crystallographic Study
Rumpa Pal, Dylan Jayatilaka, Eiji Nishibori
The Journal of Chemical Physics
|
November 9, 2010
Picture change error correction of radon atom electron density
Lukáš Bučinský, Stanislav Biskupič, Dylan Jayatilaka
Acta Crystallographica. Section A, Foundations and Advances
|
September 3, 2019
Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement
Lukáš Bučinský, Dylan Jayatilaka, Simon Grabowsky
Biophysical Journal
|
December 31, 2010
Mapping the importance of four factors in creating monovalent ion selectivity in biological molecules
Michael Thomas, Dylan Jayatilaka, Ben Corry
Physical Chemistry Chemical Physics : PCCP
|
May 11, 2011
Testing the use of molecular dynamics to simulate fluorophore motions and FRET
Evelyne Deplazes, Dylan Jayatilaka, Ben Corry
Biophysical Journal
|
October 4, 2005
A flexible approach to the calculation of resonance energy transfer efficiency between multiple donors and acceptors in complex geometries
Ben Corry, Dylan Jayatilaka, Paul Rigby
Acta Crystallographica. Section A, Foundations of Crystallography
|
April 19, 2002
Wavefunctions derived from experiment. III. Topological analysis of crystal fragments
Ian Bytheway, Daniel J Grimwood, Dylan Jayatilaka
Journal of Computational Chemistry
|
February 21, 2003
Wave functions derived from experiment. V. Investigation of electron densities, electrostatic potentials, and electron localization functions for noncentrosymmetric crystals
Daniel J Grimwood, Ian Bytheway, Dylan Jayatilaka
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
June 13, 2022
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review
Max L Davidson, Simon Grabowsky, Dylan Jayatilaka
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
June 13, 2022
X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate
Max L Davidson, Simon Grabowsky, Dylan Jayatilaka
Page
of 7