Ab initio simulation of phase transitions and dissociation of H2S at high pressure

Physical Review Letters

Volumn 85, Issue 6, 2000, Pages 1254-1257

  Rousseau, Roger ^a,b   Boero, Mauro ^a,c   Bernasconi, Marco ^d   Parrinello, Michele ^a   Terakura, Kiyoyuki ^c,e  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^c JT RES CENTER FOR ATOM TECHNOLOGY   (Japan)

^d UNIVERSITY OF MILANO BICOCCA   (Italy)

^e JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DISSOCIATION; ELECTRONIC DENSITY OF STATES; EQUATIONS OF STATE; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULAR CRYSTALS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION;

PHASE STABILITY; RADIAL DISTRIBUTION FUNCTION; VIBRATIONAL DENSITY OF STATE;

HYDROGEN SULFIDE;

EID: 18244425515     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.85.1254     Document Type: Article

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