Electronic properties of liquid hydrogen fluoride: A sequential quantum mechanical/Born-Oppenheimer molecular dynamics approach

Chemical Physics Letters

Volumn 495, Issue 1-3, 2010, Pages 40-45

  Costa Cabral, Benedito J ^a,b   Coutinho, Kaline ^c   Canuto, Sylvio ^c  

^a UNIVERSITY OF LISBON   (Portugal)

^b UNIVERSITY OF LISBON   (Portugal)

^c UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

CRYOGENIC LIQUIDS; FLUORINE COMPOUNDS; GASES; LIQUEFIED GASES; MOLECULAR DYNAMICS; POLARIZATION; QUANTUM THEORY;

BEST ESTIMATES; DYNAMIC POLARISABILITY; ELECTRONIC EXCITATION; GAS PHASE VALUE; LIQUID HYDROGENS; POLARISABILITY; QUANTUM MECHANICAL; VERTICAL EXCITATION ENERGY;

ELECTRONIC PROPERTIES;

EID: 77955558201     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.06.040     Document Type: Article

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