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Dylan Jayatilaka

Showing results (21-30 of 66) with videos related to

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The Journal of Chemical Physics|September 17, 2016
Basis set convergence of CCSD(T) equilibrium geometries using a large and diverse set of molecular structuresPeter R Spackman, Dylan Jayatilaka, Amir Karton
Scientific Reports|February 25, 2016
High Throughput Profiling of Molecular Shapes in CrystalsPeter R Spackman, Sajesh P Thomas, Dylan Jayatilaka
Acta Crystallographica. Section A, Foundations and Advances|January 5, 2021
HgH<sub>2</sub> meets relativistic quantum crystallography. How to teach relativity to a non-relativistic wavefunctionMichal Podhorský, Lukáš Bučinský, Dylan Jayatilaka, et al.
The Journal of Chemical Physics|November 15, 2006
Effective molecular polarizabilities and crystal refractive indices estimated from x-ray diffraction dataAndrew E Whitten, Dylan Jayatilaka, Mark A Spackman
Biophysical Journal|May 16, 2006
Determination of the orientational distribution and orientation factor for transfer between membrane-bound fluorophores using a confocal microscopeBen Corry, Dylan Jayatilaka, Boris Martinac, et al.
Chemical Communications (Cambridge, England)|January 26, 2008
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfacesJoshua J McKinnon, Dylan Jayatilaka, Mark A Spackman
Acta Crystallographica. Section A, Foundations of Crystallography|February 16, 2007
Are intramolecular dynamic electron correlation effects detectable in X-ray diffraction experiments on molecular crystals?Ian Bytheway, Graham Chandler, Brian Figgis, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 2, 2010
The electron localizability indicator from X-ray diffraction data--a first application to a series of epoxide derivativesSimon Grabowsky, Dylan Jayatilaka, Stefan Mebs, et al.
Physical Chemistry Chemical Physics : PCCP|September 15, 2015
S···O chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamideSajesh P Thomas, Dylan Jayatilaka, T N Guru Row
Iucrj|September 19, 2018
Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bondsKhidhir Alhameedi, Amir Karton, Dylan Jayatilaka, et al.
Pageof 7

Showing results (21-30 of 66) with videos related to

Sort By:
Pageof 7
The Journal of Chemical Physics|September 17, 2016
Basis set convergence of CCSD(T) equilibrium geometries using a large and diverse set of molecular structuresPeter R Spackman, Dylan Jayatilaka, Amir Karton
Scientific Reports|February 25, 2016
High Throughput Profiling of Molecular Shapes in CrystalsPeter R Spackman, Sajesh P Thomas, Dylan Jayatilaka
Acta Crystallographica. Section A, Foundations and Advances|January 5, 2021
HgH<sub>2</sub> meets relativistic quantum crystallography. How to teach relativity to a non-relativistic wavefunctionMichal Podhorský, Lukáš Bučinský, Dylan Jayatilaka, et al.
The Journal of Chemical Physics|November 15, 2006
Effective molecular polarizabilities and crystal refractive indices estimated from x-ray diffraction dataAndrew E Whitten, Dylan Jayatilaka, Mark A Spackman
Biophysical Journal|May 16, 2006
Determination of the orientational distribution and orientation factor for transfer between membrane-bound fluorophores using a confocal microscopeBen Corry, Dylan Jayatilaka, Boris Martinac, et al.
Chemical Communications (Cambridge, England)|January 26, 2008
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfacesJoshua J McKinnon, Dylan Jayatilaka, Mark A Spackman
Acta Crystallographica. Section A, Foundations of Crystallography|February 16, 2007
Are intramolecular dynamic electron correlation effects detectable in X-ray diffraction experiments on molecular crystals?Ian Bytheway, Graham Chandler, Brian Figgis, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 2, 2010
The electron localizability indicator from X-ray diffraction data--a first application to a series of epoxide derivativesSimon Grabowsky, Dylan Jayatilaka, Stefan Mebs, et al.
Physical Chemistry Chemical Physics : PCCP|September 15, 2015
S···O chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamideSajesh P Thomas, Dylan Jayatilaka, T N Guru Row
Iucrj|September 19, 2018
Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bondsKhidhir Alhameedi, Amir Karton, Dylan Jayatilaka, et al.
Pageof 7