Breakdown of the first hyperpolarizability/bond-length alternation parameter relationship

Proceedings of the National Academy of Sciences of the United States of America

Volumn 107, Issue 38, 2010, Pages 16453-16458

  Murugan, N Arul ^a   Kongsted, Jacob ^b   Rinkevicius, Zilvinas ^a   Ågren, Hans ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

Author keywords

Bond length alternation; Hybrid QMMM modeling; Nonlinear optical materials

Indexed keywords

CHLOROFORM; MEROCYANINE; STILBAZOLIUM MEROCYANINE; UNCLASSIFIED DRUG;

AQUEOUS SOLUTION; ARTICLE; BOND LENGTH ALTERNATION; CHEMICAL STRUCTURE; CHROMATOPHORE; HYPERPOLARIZATION; MOLECULAR DYNAMICS; PARAMETRIC TEST; PRIORITY JOURNAL; QUANTUM MECHANICS; SIMULATION;

EID: 78049236944     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1006572107     Document Type: Article

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