How crucial are finite temperature and solvent effects on structure and absorption spectra of Si10?

Journal of Physical Chemistry C

Volumn 116, Issue 50, 2012, Pages 26618-26624

  Murugan, N Arul ^a   Dasgupta, Indra ^b   Chakraborty, Arup ^b   Ganguli, Nirmal ^b   Kongsted, Jacob ^c   Ågren, Hans ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b DEPARTMENT OF MATERIALS SCIENCE   (India)

^c UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMEDICAL APPLICATIONS; CONFORMATIONAL TRANSITIONS; FINITE TEMPERATURES; FUNCTIONALIZED; GASPHASE; GLOBAL MINIMUM STRUCTURE; HYBRID QM/MM; INTER-ATOMIC DISTANCES; OPTICAL ABSORPTION PROPERTIES; SILICON CLUSTERS; SOLVENT EFFECTS; SURFACE ATOMS; TRIGONAL PRISMS;

ELECTROMAGNETIC WAVE ABSORPTION; GASES; ISOMERS; MEDICAL APPLICATIONS; OPTICAL PROPERTIES; SILICON;

CRYSTAL ATOMIC STRUCTURE;

EID: 84871606163     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp308737u     Document Type: Article

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