A recent development of the CSINDO model. Treatment of solvent effects on structures and optical properties of organic dyes

被引：14

作者：

Baraldi, I ^{[1
]}

Momicchioli, F ^{[1
]}

Ponterini, G ^{[1
]}

Vanossi, D ^{[1
]}

机构：

[1] Univ Modena, Dipartimento Chim, I-41100 Modena, Italy

来源：

ADVANCES IN QUANTUM CHEMISTRY, VOL 36: FROM ELECTRONIC STRUCTURE TO TIME-DEPENDENT PROCESSES | 1999年 / 36卷

关键词：

D O I：

10.1016/S0065-3276(08)60481-5

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：121 / 150

页数：30

共 51 条

[1] Rational design of molecules with large hyperpolarizabilities. Electric field, solvent polarity, and bond length alternation effects on merocyanine dye linear and nonlinear optical properties [J].

Albert, IDL ;

Marks, TJ ;

Ratner, MA .

JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (23) :9714-9725

[2]

[Anonymous], 1982, ELECT CHEM REACTIONS

[3] Solvent effects within the CS INDO method. Geometrical distortion and solvatochromism of merocyanine dyes [J].

Baraldi, I ;

Momicchioli, F ;

Ponterini, G ;

Vanossi, D .

CHEMICAL PHYSICS, 1998, 238 (03) :353-364

[4] The stable and photochemical isomers of some merocyanines: A H-1 NMR and theoretical CS INDO study of the structures and electronic spectra [J].

Baraldi, I ;

Ghelli, S ;

Krasnaya, ZA ;

Momicchioli, F ;

Tatikolov, AS ;

Vanossi, D ;

Ponterini, G .

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 1997, 105 (2-3) :297-305

[5] ELECTRONIC-SPECTRA AND TRANS CIS PHOTOISOMERISM OF CARBOCYANINES - A THEORETICAL (CS INDO CI) AND EXPERIMENTAL-STUDY [J].

BARALDI, I ;

CARNEVALI, A ;

MOMICCHIOLI, F ;

PONTERINI, G .

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1993, 49 (04) :471-495

[6]

Baraldi I, 1996, GAZZ CHIM ITAL, V126, P211

[7] ROTAMERISM IN 2,2'-BINAPHTHYL - A STUDY BASED ON FLUORESCENCE ANALYSIS AND CS-INDO/CI CALCULATIONS [J].

BARALDI, I ;

BRUNI, MC ;

CASELLI, M ;

PONTERINI, G .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1989, 85 :65-74

[8]

BARALDI I, 1984, J MOL STRUCT THEOCHE, V110, P187

[9]

BARALDI I, 1995, THEOCHEM-J MOL STRUC, V330, P403

[10] Correlated second-order perturbation studies of spin-spin nuclear coupling constants from CS-INDO molecular orbitals: polymethine compounds [J].

Barbier, C ;

Berthier, G ;

Baraldi, I ;

Momicchioli, F .

THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1998, 433 :231-237

← 1 2 3 4 5 6 →