Spin-flow vibrational spectroscopy of molecules with flexible spin density: Electrochemistry, ESR, cluster and spin dynamics, and bonding in TiSc 2N@C80

ACS Nano

Volumn 4, Issue 8, 2010, Pages 4857-4871

  Popov, Alexey A ^a,b   Chen, Chuanbao ^c   Yang, Shangfeng ^c   Lipps, Ferdinand ^a   Dunsch, Lothar ^a  

^a IFW DRESDEN   (Germany)

^b MOSCOW STATE UNIVERSITY   (Russian Federation)

^c UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

DFT computations; Electronic structure; Endohedral fullerenes; ESR spectroscopy; Molecular dynamics; Nitride clusterfullerene; QTAIM; Spin transport

Indexed keywords

DFT COMPUTATIONS; ENDOHEDRAL FULLERENES; ESR SPECTROSCOPY; QTAIM; SPIN TRANSPORT;

DENSITY FUNCTIONAL THEORY; DYNAMICS; ELECTRONIC PROPERTIES; ELECTRONIC STATES; ELECTRONIC STRUCTURE; FOURIER ANALYSIS; FOURIER TRANSFORMS; FULLERENES; IONS; ISOMERS; MOLECULAR DYNAMICS; NITRIDES; SCANDIUM; VIBRATIONAL SPECTROSCOPY;

SPIN DYNAMICS;

EID: 78650087355     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn101115d     Document Type: Article

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