Structural evolution of amino acid crystals under stress from a non-empirical density functional

Journal of Physics Condensed Matter

Volumn 24, Issue 42, 2012, Pages

  Sabatini, Riccardo ^a   Küçükbenli, Emine ^a,b,c   Kolb, Brian ^d   Thonhauser, T ^d   De Gironcoli, Stefano ^a,b  

^a SISSA   (Italy)

^b IOM CNR LABORATORIO TASC   (Italy)

^c EPFL   (Switzerland)

^d WAKE FOREST UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACID CRYSTALS; CELL PARAMETER; CORRELATION FUNCTIONALS; DENSITY FUNCTIONALS; INTERMOLECULAR INTERACTIONS; L-ALANINE; NONLOCAL; STRESS TENSORS; STRUCTURAL EVOLUTION; VAN DER WAALS; VAN DER WAALS INTERACTIONS;

AMINO ACIDS; ELECTRONIC STRUCTURE; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

ALANINE; GLYCINE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

ALANINE; CRYSTALLOGRAPHY, X-RAY; GLYCINE; MODELS, MOLECULAR; QUANTUM THEORY;

EID: 84867268020     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/42/424209     Document Type: Article

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