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October 9, 2014
Hirshfeld atom refinement
Silvia C Capelli, Hans-Beat Bürgi, Birger Dittrich, et al.
Acta Crystallographica. Section A, Foundations of Crystallography
|
December 24, 2009
X-ray constrained unrestricted Hartree-Fock and Douglas-Kroll-Hess wavefunctions
Martin Hudák, Dylan Jayatilaka, Lucia Perasínová, et al.
Acta Crystallographica. Section A, Foundations of Crystallography
|
April 19, 2002
Wavefunctions derived from experiment. IV. Investigation of the crystal environment of ammonia
Ian Bytheway, Daniel J Grimwood, Brian N Figgis, et al.
Chemical Communications (Cambridge, England)
|
December 20, 2014
Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals
Michael J Turner, Sajesh P Thomas, Ming W Shi, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 13, 2009
Refractive indices for molecular crystals from the response of X-ray constrained Hartree-Fock wavefunctions
Dylan Jayatilaka, Parthapratim Munshi, Michael J Turner, et al.
Faraday Discussions
|
July 20, 2017
Intermolecular interactions in molecular crystals: what's in a name?
Alison J Edwards, Campbell F Mackenzie, Peter R Spackman, et al.
Angewandte Chemie (International Ed. in English)
|
May 31, 2012
The significance of ionic bonding in sulfur dioxide: bond orders from X-ray diffraction data
Simon Grabowsky, Peter Luger, Jürgen Buschmann, et al.
Journal of Applied Crystallography
|
June 30, 2021
The advanced treatment of hydrogen bonding in quantum crystallography
Lorraine A Malaspina, Alessandro Genoni, Dylan Jayatilaka, et al.
Angewandte Chemie (International Ed. in English)
|
May 5, 2017
The Elusive Structural Origin of Plastic Bending in Dimethyl Sulfone Crystals with Quasi-isotropic Crystal Packing
Sajesh P Thomas, Ming W Shi, George A Koutsantonis, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 24, 2017
Validation of X-ray Wavefunction Refinement
Magdalena Woińska, Dylan Jayatilaka, Birger Dittrich, et al.
Page
of 7
Search research articles
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Showing results (41-50 of 66) with videos related to
Sort By:
Page
of 7
Iucrj
|
October 9, 2014
Hirshfeld atom refinement
Silvia C Capelli, Hans-Beat Bürgi, Birger Dittrich, et al.
Acta Crystallographica. Section A, Foundations of Crystallography
|
December 24, 2009
X-ray constrained unrestricted Hartree-Fock and Douglas-Kroll-Hess wavefunctions
Martin Hudák, Dylan Jayatilaka, Lucia Perasínová, et al.
Acta Crystallographica. Section A, Foundations of Crystallography
|
April 19, 2002
Wavefunctions derived from experiment. IV. Investigation of the crystal environment of ammonia
Ian Bytheway, Daniel J Grimwood, Brian N Figgis, et al.
Chemical Communications (Cambridge, England)
|
December 20, 2014
Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals
Michael J Turner, Sajesh P Thomas, Ming W Shi, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 13, 2009
Refractive indices for molecular crystals from the response of X-ray constrained Hartree-Fock wavefunctions
Dylan Jayatilaka, Parthapratim Munshi, Michael J Turner, et al.
Faraday Discussions
|
July 20, 2017
Intermolecular interactions in molecular crystals: what's in a name?
Alison J Edwards, Campbell F Mackenzie, Peter R Spackman, et al.
Angewandte Chemie (International Ed. in English)
|
May 31, 2012
The significance of ionic bonding in sulfur dioxide: bond orders from X-ray diffraction data
Simon Grabowsky, Peter Luger, Jürgen Buschmann, et al.
Journal of Applied Crystallography
|
June 30, 2021
The advanced treatment of hydrogen bonding in quantum crystallography
Lorraine A Malaspina, Alessandro Genoni, Dylan Jayatilaka, et al.
Angewandte Chemie (International Ed. in English)
|
May 5, 2017
The Elusive Structural Origin of Plastic Bending in Dimethyl Sulfone Crystals with Quasi-isotropic Crystal Packing
Sajesh P Thomas, Ming W Shi, George A Koutsantonis, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 24, 2017
Validation of X-ray Wavefunction Refinement
Magdalena Woińska, Dylan Jayatilaka, Birger Dittrich, et al.
Page
of 7