Central-atom size effects on the methyl torsions of group XIV tetratolyls

Chemistry - A European Journal

Volumn 18, Issue 41, 2012, Pages 13018-13024

  Ng, Maggie C C ^a   Harper, Jason B ^a   Stampfl, Anton P J ^b   Kearley, Gordon J ^b   Rols, Stéphane ^c   Stride, John A ^a,b  

^a UNIVERSITY OF NEW SOUTH WALES   (Australia)

^b AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION   (Australia)

^c INSTITUT LAUE LANGEVIN   (France)

Author keywords

crystal engineering; density functional calculations; intermolecular interactions; molecular dynamics; neutron scattering

Indexed keywords

CENTRAL ATOM; CONTACT SURFACE; GROUP INTERACTION; INTERMOLECULAR INTERACTIONS; ISOSTRUCTURAL; LATTICE MODES; LOW ENERGIES; METHYL GROUP; METHYL TORSION; MOLECULAR RADIUS; PHONON BATHS; PHONON SPECTRUM; SIZE EFFECTS; SOLID-STATE STRUCTURES; TORSIONAL MODES;

ATOMS; CRYSTAL ENGINEERING; DENSITY FUNCTIONAL THEORY; FUNCTIONAL GROUPS; GERMANIUM; LEAD; MOLECULAR DYNAMICS; NEUTRON SCATTERING; PHONONS; SILICON; TIN;

CRYSTAL ATOMIC STRUCTURE;

EID: 84867047819     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201202105     Document Type: Article

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