Structure−Property Relationships in the Nonlinear Optical Crystal KTiOPO4Investigated Using NMR and ab Initio DFT Calculations

Structure Property Relationships ◽

Optical Crystal ◽

Ab Initio Dft

Structure—Property Relationships in the Nonlinear Optical Crystal KTiOPO4 Investigated Using NMR and ab Initio DFT Calculations.

ChemInform ◽

10.1002/chin.200427010 ◽

2004 ◽

Vol 35 (27) ◽

Author(s):

P. A. Thomas ◽

A. Baldwin ◽

R. Dupree ◽

P. Blaha ◽

K. Schwarz ◽

...

Keyword(s):

Dft Calculations ◽

Ab Initio ◽

Nonlinear Optical ◽

Structure Property ◽

Structure Property Relationships ◽

Optical Crystal ◽

Ab Initio Dft

Ab initio calculations on the borate nonlinear optical crystal BaAlBO3F2

Journal of Applied Physics ◽

10.1063/1.3259438 ◽

2009 ◽

Vol 106 (10) ◽

pp. 103107 ◽

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He Huang ◽

Z. S. Lin ◽

Lei Bai ◽

Z. G. Hu ◽

C. T. Chen

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Nonlinear Optical ◽

Influences of twist boundaries on optical effects: Ab initio studies of the deep ultraviolet nonlinear optical crystal KBe2BO3F2

Journal of Applied Physics ◽

10.1063/1.3569836 ◽

2011 ◽

Vol 109 (7) ◽

pp. 073721 ◽

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...

Keyword(s):

Ab Initio ◽

Nonlinear Optical ◽

Optical Effects ◽

Deep Ultraviolet ◽

Optical Crystal ◽

Twist Boundaries

Structural and spectroscopic investigations of nonlinear optical crystal l-phenylalanine fumaric acid by DFT calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.03.013 ◽

2019 ◽

Vol 1186 ◽

pp. 91-101 ◽

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Author(s):

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Keyword(s):

Dft Calculations ◽

Fumaric Acid ◽

Nonlinear Optical ◽

Spectroscopic Investigations ◽

Probing the structure–property relationship of a new semiorganic nonlinear optical crystal: catena-poly[bis(4-methylbenzylammonium) [[dibromidocadmate(II)]-di-l-bromido]]

Journal of Materials Science Materials in Electronics ◽

10.1007/s10854-019-01193-4 ◽

2019 ◽

Vol 30 (9) ◽

pp. 8698-8704 ◽

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Author(s):

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Keyword(s):

Nonlinear Optical ◽

Structure Property ◽

Property Relationship ◽

Structure Property Relationship ◽

Optical Crystal ◽

Relationship Of

Investigation of optical damage in the nonlinear optical crystal (-)2-(alpha-methylbenzylamino)-5-nitropyridine

Journal of Modern Optics ◽

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1996 ◽

Vol 43 (5) ◽

pp. 903-912 ◽

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Keyword(s):

Nonlinear Optical ◽

Optical Damage ◽

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Journal of Crystal Growth ◽

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1995 ◽

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pp. 307-309 ◽

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...

Keyword(s):

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Lithium Borate ◽

Growth, crystal structure, thermal, spectral studies and density functional theory computational analysis of an organic nonlinear optical crystal: 2‐{3‐[2‐(4‐dimethylaminophenyl)vinyl]‐5,5‐dimethylcyclohex‐2‐enylidene}‐malonitrile

International Journal of Quantum Chemistry ◽

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...

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Crystal Structure ◽

Density Functional Theory ◽

Density Functional ◽

Nonlinear Optical ◽

Computational Analysis ◽

Spectral Studies ◽

Functional Theory ◽

Cd3(IO3)(IO4)F2·0.1CdO: A Nonlinear-Optical Crystal with the Introduction of Fluoride into Iodate Containing Both [IO3]− and [IO4]3– Groups

Inorganic Chemistry ◽

10.1021/acs.inorgchem.1c00506 ◽

2021 ◽

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Keyword(s):

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Glucuronic acid γ -lactone: an organic nonlinear optical crystal with high laser-induced damage threshold

Optical Engineering ◽

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Keyword(s):

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Glucuronic Acid ◽

Damage Threshold ◽

High Laser ◽

Optical Crystal ◽

Laser Induced Damage