Theoretical study on nonlinear optical properties of the Li +[calix[4] pyrrole] Li-Dimer, Trimer and its Polymer with Diffuse Excess Electrons www.interscience.wiley.com

Journal of Computational Chemistry

Volumn 31, Issue 4, 2010, Pages 863-870

  Tao Yu, Guang ^a,b   Chen, Wei ^a,b   Gu, Feng Long ^a,b   Aoki, Yuriko ^a,b  

^a KYUSHU UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Elongation method; Excess electron; NLO

Indexed keywords

AB INITIO; CALIX[4]PYRROLE; ELONGATION METHOD; EXCESS ELECTRONS; FIRST HYPERPOLARIZABILITIES; LI ATOMS; NLO MATERIALS; NLO PROPERTIES; NON-LINEAR OPTICAL MATERIAL; NON-LINEAR OPTICAL PROPERTIES; POLARIZABILITIES; SECOND HYPERPOLARIZABILITIES; THEORETICAL STUDY;

ELONGATION; NITROGEN COMPOUNDS; NONLINEAR OPTICS; OLIGOMERS; OPTICAL PROPERTIES;

ELECTRONS;

CALIX(4)PYRROLE; CALIXARENE; LITHIUM; ORGANOMETALLIC COMPOUND; POLYMER; PORPHYRIN;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; DIMERIZATION; ELECTRON; QUANTUM THEORY;

CALIXARENES; COMPUTER SIMULATION; DIMERIZATION; ELECTRONS; LITHIUM; MODELS, CHEMICAL; ORGANOMETALLIC COMPOUNDS; POLYMERS; PORPHYRINS; QUANTUM THEORY;

EID: 76249097968     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21373     Document Type: Article

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