Temperature dependence of isotopic quantum effects in water

Physical Review Letters

Volumn 94, Issue 4, 2005, Pages

  Hart, R T ^a   Benmore, C J ^a   Neuefeind, J ^b   Kohara, S ^c   Tomberli, B ^d   Egelstaff, P A ^d  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c JAPAN SYNCHROTRON RADIATION RESEARCH INSTITUTE   (Japan)

^d UNIVERSITY OF GUELPH   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; CAR-PARRINELLO (CPMD) APPROACHES; MOLECULAR INTERACTIONS; RADIAL DISTRIBUTION FUNCTIONS;

COMPUTER SIMULATION; ELECTRONIC STRUCTURE; HYDROGEN BONDS; MOLECULAR DYNAMICS; NEUTRON SCATTERING; PHOTONS; WATER; X RAY DIFFRACTION ANALYSIS;

QUANTUM THEORY;

DEUTERIUM; OXYGEN; WATER;

CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; CONFORMATION; QUANTUM THEORY; TEMPERATURE; X RAY DIFFRACTION;

COMPUTER SIMULATION; DEUTERIUM; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OXYGEN ISOTOPES; QUANTUM THEORY; TEMPERATURE; WATER; X-RAY DIFFRACTION;

EID: 18044384825     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.94.047801     Document Type: Article

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