Ab initio Hartree-Fock calculations on linear and second-order nonlinear optical properties of new acridine-benzothiazolylamine chromophores

Journal of Molecular Modeling

Volumn 14, Issue 2, 2008, Pages 161-169

  Avci, Davut ^a   Cömert, Hüseyin ^b   Atalay, Yusuf ^a  

^a SAKARYA UNIVERSITY   (Turkey)

^b BEYKENT UNIVERSITY   (Turkey)

Author keywords

Ab initio HF; Acridine benzothiazolylamine chromophores; Anisotropy of polarizability; Hyperpolarizability; Polarizability

Indexed keywords

2 NITRO 6 (PIPERID 1 YL)ACRIDINE; 6 (6 (BETA HYDROXYETHYLBENZOTHIAZOL 2 YL AMINO) 2 NITROACRIDINE; 6 (6 ETHYLCARBOXYLATE BENZOTHIAZOL 2 YL AMINO) 2 NITROACRIDINE; 6 (BENZOTHIAZOL 2 YL AMINO) 2 NITROACRIDINE; ACRIDINE; BENZOTHIAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ANISOTROPY; ARTICLE; CHEMICAL STRUCTURE; HYPERPOLARIZATION; KERNEL METHOD; OPTICS; PHYSICAL CHEMISTRY; POLARIZATION; PRIORITY JOURNAL;

EID: 38349075671     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0258-8     Document Type: Article

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