Accurate hydrogen positions in organic crystals: Assessing a quantum-chemical aide

Crystal Growth and Design

Volumn 12, Issue 2, 2012, Pages 1014-1021

  Deringer, Volker L ^a   Hoepfner, Veronika ^a   Dronskowski, Richard ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; COMPLEX CRYSTALS; DENSITY FUNCTIONALS; EXPERIMENTAL TECHNIQUES; GOLD STANDARDS; HIGH RESOLUTION X RAY DIFFRACTION; HYDROGEN ATOMS; HYDROGEN POSITIONS; MANIFOLD STRUCTURES; OPTIMIZATION TECHNIQUES; ORGANIC CRYSTAL; ORGANIC MOLECULES; PLANE WAVE;

HYDROGEN; MOLECULAR CRYSTALS; NEUTRON DIFFRACTION; OPTIMIZATION; X RAY DIFFRACTION;

QUANTUM CHEMISTRY;

EID: 84858068472     PISSN: 15287483     EISSN: 15287505     Source Type: Journal    
DOI: 10.1021/cg201505n     Document Type: Review

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