Valence‐bond charge‐transfer solvation model for nonlinear optical properties of organic molecules in polar solvents

Guanhua Chen; Daqi Lu; William A. Goddard

doi:10.1063/1.467302

Valence‐bond charge‐transfer solvation model for nonlinear optical properties of organic molecules in polar solvents

The Journal of Chemical Physics ◽

10.1063/1.467302 ◽

1994 ◽

Vol 101 (7) ◽

pp. 5860-5864 ◽

Cited By ~ 51

Author(s):

Guanhua Chen ◽

Daqi Lu ◽

William A. Goddard

Keyword(s):

Optical Properties ◽

Charge Transfer ◽

Nonlinear Optical ◽

Organic Molecules ◽

Valence Bond ◽

Nonlinear Optical Properties ◽

Solvation Model ◽

Polar Solvents ◽

Bond Charge

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Valence-Bond Charge-Transfer Model for Nonlinear Optical Properties of Charge-Transfer Organic Molecules

Journal of the American Chemical Society ◽

10.1021/ja00102a037 ◽

1994 ◽

Vol 116 (23) ◽

pp. 10679-10685 ◽

Cited By ~ 128

Author(s):

Daqi Lu ◽

Guanhua Chen ◽

Joseph W. Perry ◽

William A. Goddard

Keyword(s):

Optical Properties ◽

Charge Transfer ◽

Nonlinear Optical ◽

Organic Molecules ◽

Valence Bond ◽

Nonlinear Optical Properties ◽

Transfer Model ◽

Bond Charge ◽

Charge Transfer Model

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The valence‐bond charge‐transfer‐exciton model for predicting nonlinear optical properties (hyperpolarizabilities and saturation length) of polymeric materials

The Journal of Chemical Physics ◽

10.1063/1.467414 ◽

1994 ◽

Vol 101 (6) ◽

pp. 4920-4930 ◽

Cited By ~ 21

Author(s):

Daqi Lu ◽

Guanhua Chen ◽

William A. Goddard

Keyword(s):

Optical Properties ◽

Charge Transfer ◽

Nonlinear Optical ◽

Valence Bond ◽

Polymeric Materials ◽

Nonlinear Optical Properties ◽

Exciton Model ◽

Bond Charge

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Valence Bond Charge Transfer Theory for Predicting Nonlinear Optical Properties of Organic Materials

ACS Symposium Series - Computer-Aided Molecular Design ◽

10.1021/bk-1995-0589.ch025 ◽

1995 ◽

pp. 341-358

Author(s):

William A. Goddard ◽

Daqi Lu ◽

Guanhua Chen ◽

Joe W. Perry

Keyword(s):

Optical Properties ◽

Charge Transfer ◽

Nonlinear Optical ◽

Organic Materials ◽

Valence Bond ◽

Nonlinear Optical Properties ◽

Transfer Theory ◽

Bond Charge

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Inclusion of non-orthogonality on the valence bond charge-transfer model for nonlinear optical properties of push—pull molecules

Molecular Physics ◽

10.1080/0026897031000122342 ◽

2003 ◽

Vol 101 (12) ◽

pp. 1805-1811

Author(s):

E. SQUITIERI ◽

M. GORAYEB ◽

J. L. PAZ ◽

V. MUJICA

Keyword(s):

Optical Properties ◽

Charge Transfer ◽

Nonlinear Optical ◽

Valence Bond ◽

Nonlinear Optical Properties ◽

Transfer Model ◽

Bond Charge ◽

Charge Transfer Model

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Nonlinear Optical Properties of Organic Molecules. 19. Calculations of the Structure, Electronic Properties, and Hyperpolarizabilities of Phenylsydnones

The Journal of Physical Chemistry ◽

10.1021/j100007a022 ◽

1995 ◽

Vol 99 (7) ◽

pp. 1923-1927 ◽

Cited By ~ 29

Author(s):

John O. Morley

Keyword(s):

Optical Properties ◽

Electronic Properties ◽

Nonlinear Optical ◽

Organic Molecules ◽

Nonlinear Optical Properties

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Nonlinear optical properties of organic molecules. Part 15. Calculation of the structure and hyperpolarisabilities of arylalkenes containing weak donors and acceptors

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29940001211 ◽

1994 ◽

pp. 1211 ◽

Cited By ~ 7

Author(s):

John O. Morley

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Organic Molecules ◽

Nonlinear Optical Properties

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Charge-Transfer Induced Large Nonlinear Optical Properties of Small Al Clusters: Al4M4(M = Li, Na, and K)

The Journal of Physical Chemistry A ◽

10.1021/jp047204c ◽

2004 ◽

Vol 108 (44) ◽

pp. 9527-9530 ◽

Cited By ~ 54

Author(s):

Ayan Datta ◽

Swapan K. Pati

Keyword(s):

Optical Properties ◽

Charge Transfer ◽

Nonlinear Optical ◽

Nonlinear Optical Properties

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Theoretical study on the spectroscopic and third-order nonlinear optical properties of two-dimensional charge-transfer pyrazine derivatives

Molecular Physics ◽

10.1080/00268976.2017.1355995 ◽

2017 ◽

Vol 115 (24) ◽

pp. 3164-3171 ◽

Cited By ~ 1

Author(s):

Haipeng Li ◽

Yi Zhang ◽

Zetong Bi ◽

Runfeng Xu ◽

Mingxue Li ◽

...

Keyword(s):

Optical Properties ◽

Charge Transfer ◽

Nonlinear Optical ◽

Theoretical Study ◽

Nonlinear Optical Properties ◽

Two Dimensional ◽

Third Order

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Erratum: Valence bond approach to exact nonlinear optical properties of conjugated systems [J. Chem. Phys. 90, 1067 (1989)]

The Journal of Chemical Physics ◽

10.1063/1.458623 ◽

1990 ◽

Vol 92 (8) ◽

pp. 5166-5167 ◽

Cited By ~ 5

Author(s):

Z. G. Soos ◽

S. Ramasesha

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Valence Bond ◽

Chem Phys ◽

Nonlinear Optical Properties ◽

Conjugated Systems

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Nonlinear optical properties of organic molecules. XII. Calculations of the hyperpolarizabilities of donor-acceptor polyynes

International Journal of Quantum Chemistry ◽

10.1002/qua.560460103 ◽

1993 ◽

Vol 46 (1) ◽

pp. 19-26 ◽

Cited By ~ 28

Author(s):

John O. Morley

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Organic Molecules ◽

Nonlinear Optical Properties ◽

Donor Acceptor

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