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Physical Review Letters

Volumn 117, Issue 11, 2016, Pages

Anharmonic and Quantum Fluctuations in Molecular Crystals: A First-Principles Study of the Stability of Paracetamol

(3) Rossi, Mariana a Gasparotto, Piero a Ceriotti, Michele a

a EPFL (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; FREE ENERGY; MOLECULAR CRYSTALS; QUANTUM ELECTRONICS; QUANTUM THEORY; VAN DER WAALS FORCES;

AB INITIO CRYSTAL STRUCTURES; ANHARMONIC CONTRIBUTIONS; CRYSTAL STRUCTURE PREDICTION; FIRST-PRINCIPLES STUDY; NUCLEAR QUANTUM EFFECTS; PHYSICOCHEMICAL PROPERTY; THERMODYNAMIC INTEGRATION; VAN DER WAALS INTERACTIONS;

CRYSTAL STRUCTURE;

EID: 84988736457 PISSN: 00319007 EISSN: 10797114 Source Type: Journal
DOI: 10.1103/PhysRevLett.117.115702 Document Type: Article

Times cited : (100)

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