Linear Response Polarizability Tensor Theory for Vibrational Circular Dichroism: VCD and IR Absorption Bandshape Calculations ofα-Helical andβ-Sheet Polypeptides

Hirotoshi Ito; Y. J. I’Haya

doi:10.1246/bcsj.67.1238

Linear Response Polarizability Tensor Theory for Vibrational Circular Dichroism: VCD and IR Absorption Bandshape Calculations ofα-Helical andβ-Sheet Polypeptides

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.67.1238 ◽

1994 ◽

Vol 67 (5) ◽

pp. 1238-1245 ◽

Cited By ~ 3

Author(s):

Hirotoshi Ito ◽

Y. J. I’Haya

Keyword(s):

Circular Dichroism ◽

Linear Response ◽

Vibrational Circular Dichroism ◽

Polarizability Tensor ◽

Ir Absorption ◽

Tensor Theory ◽

Circular Dichroïsm

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Polarizability tensor theory by Green’s function matrix: Circular dichroism and ultraviolet absorption band shape calculations of cyclo(Gly-Pro-Gly-D-Ala-Pro) having β- and γ-turns

The Journal of Chemical Physics ◽

10.1063/1.475387 ◽

1998 ◽

Vol 108 (1) ◽

pp. 93-108 ◽

Cited By ~ 5

Author(s):

Hirotoshi Ito

Keyword(s):

Circular Dichroism ◽

Absorption Band ◽

Green’S Function ◽

Green's Function ◽

Ultraviolet Absorption ◽

Polarizability Tensor ◽

Band Shape ◽

Tensor Theory ◽

Circular Dichroïsm ◽

Function Matrix

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Vibrational circular dichroism and IR absorption of DNA complexes with Cu2+ ions

Biopolymers ◽

10.1002/bip.10439 ◽

2003 ◽

Vol 72 (5) ◽

pp. 374-390 ◽

Cited By ~ 63

Author(s):

V. Andrushchenko ◽

J. H. Van De Sande ◽

H. Wieser

Keyword(s):

Circular Dichroism ◽

Vibrational Circular Dichroism ◽

Ir Absorption ◽

Dna Complexes ◽

Circular Dichroïsm

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Vibrational transition current density in (2 S ,3 S )-oxirane-d 2 : visualizing electronic and nuclear contributions to IR absorption and vibrational circular dichroism intensities

Journal of Molecular Structure ◽

10.1016/s0022-2860(00)00517-2 ◽

2000 ◽

Vol 550-551 ◽

pp. 123-134 ◽

Cited By ~ 7

Author(s):

T.B. Freedman ◽

E. Lee ◽

L.A. Nafie

Keyword(s):

Circular Dichroism ◽

Current Density ◽

Vibrational Circular Dichroism ◽

Ir Absorption ◽

Vibrational Transition ◽

Transition Current ◽

Circular Dichroïsm

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Polarizability tensor theory based upon a Bayley–Nielsen–Schellman-type model Hamiltonian: Circular dichroism calculations of polypeptides

The Journal of Chemical Physics ◽

10.1063/1.480251 ◽

1999 ◽

Vol 111 (19) ◽

pp. 9093-9110 ◽

Cited By ~ 3

Author(s):

Hirotoshi Ito

Keyword(s):

Circular Dichroism ◽

Polarizability Tensor ◽

Type Model ◽

Tensor Theory ◽

Model Hamiltonian ◽

Circular Dichroïsm

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Linear response polarizability bandshape calculations of vibrational circular dichroism, vibrational absorption, and electronic circular dichroism of cyclo(Gly-Pro-Gly-D-Ala-Pro): A small cyclic pentapeptide having β- and γ-turns

Biospectroscopy ◽

10.1002/(sici)1520-6343(1996)2:1<17::aid-bspy3>3.0.co;2-p ◽

1998 ◽

Vol 2 (1) ◽

pp. 17-37 ◽

Cited By ~ 2

Author(s):

Hirotoshi Ito

Keyword(s):

Circular Dichroism ◽

Linear Response ◽

Vibrational Circular Dichroism ◽

Electronic Circular Dichroism ◽

Vibrational Absorption ◽

Circular Dichroïsm

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Vibrational Circular Dichroism and IR Absorption Spectra of Amino Acids: A Density Functional Study

The Journal of Physical Chemistry A ◽

10.1021/jp9108442 ◽

2010 ◽

Vol 114 (10) ◽

pp. 3591-3601 ◽

Cited By ~ 15

Author(s):

Zhi Ji ◽

Rubén Santamaria ◽

Ignacio L. Garzón

Keyword(s):

Amino Acids ◽

Circular Dichroism ◽

Absorption Spectra ◽

Density Functional ◽

Vibrational Circular Dichroism ◽

Functional Study ◽

Ir Absorption ◽

Density Functional Study ◽

Ir Absorption Spectra ◽

Circular Dichroïsm

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Determination of the Absolute Configurations of Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotation: The Iridoids Plumericin and Isoplumericin

The Journal of Organic Chemistry ◽

10.1021/jo070155q ◽

2007 ◽

Vol 72 (9) ◽

pp. 3521-3536 ◽

Cited By ~ 75

Author(s):

P. J. Stephens ◽

J. J. Pan ◽

F. J. Devlin ◽

K. Krohn ◽

T. Kurtán

Keyword(s):

Density Functional Theory ◽

Natural Products ◽

Circular Dichroism ◽

Density Functional ◽

Optical Rotation ◽

Density Functional Theory Calculations ◽

Vibrational Circular Dichroism ◽

Functional Theory ◽

Circular Dichroïsm

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Cisplatin-DNA Adducts by Vibrational Circular Dichroism Spectroscopy: Structure and Isomerization of d(CCTGGTCC)·d(GGACCAGG) Intrastrand Cross-Linked by Cisplatin

The Journal of Physical Chemistry B ◽

10.1021/jp034246c ◽

2003 ◽

Vol 107 (26) ◽

pp. 6479-6485 ◽

Cited By ~ 10

Author(s):

Dimiter Tsankov ◽

Berndt Kalisch ◽

Hans van de Sande ◽

Hal Wieser

Keyword(s):

Circular Dichroism ◽

Dna Adducts ◽

Circular Dichroism Spectroscopy ◽

Vibrational Circular Dichroism ◽

Circular Dichroïsm

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Infrared vibrational circular dichroism

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39720001084 ◽

1972 ◽

pp. 1084 ◽

Cited By ~ 10

Author(s):

R. J. Dudley ◽

S. F. Mason ◽

R. D. Peacock

Keyword(s):

Circular Dichroism ◽

Vibrational Circular Dichroism ◽

Circular Dichroïsm

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Valence optical theory of vibrational circular dichroism and Raman optical activity

Molecular Physics ◽

10.1080/00268978800101061 ◽

1988 ◽

Vol 65 (2) ◽

pp. 327-344 ◽

Cited By ~ 21

Author(s):

Juan R. Escribano ◽

Laurence D. Barron

Keyword(s):

Circular Dichroism ◽

Optical Activity ◽

Vibrational Circular Dichroism ◽

Raman Optical Activity ◽

Optical Theory ◽

Circular Dichroïsm

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Linear Response Polarizability Tensor Theory for Vibrational Circular Dichroism: VCD and IR Absorption Bandshape Calculations ofα-Helical andβ-Sheet Polypeptides

Polarizability tensor theory by Green’s function matrix: Circular dichroism and ultraviolet absorption band shape calculations of cyclo(Gly-Pro-Gly-D-Ala-Pro) having β- and γ-turns

Vibrational circular dichroism and IR absorption of DNA complexes with Cu2+ ions

Vibrational transition current density in (2 S ,3 S )-oxirane-d 2 : visualizing electronic and nuclear contributions to IR absorption and vibrational circular dichroism intensities

Polarizability tensor theory based upon a Bayley–Nielsen–Schellman-type model Hamiltonian: Circular dichroism calculations of polypeptides

Linear response polarizability bandshape calculations of vibrational circular dichroism, vibrational absorption, and electronic circular dichroism of cyclo(Gly-Pro-Gly-D-Ala-Pro): A small cyclic pentapeptide having β- and γ-turns

Vibrational Circular Dichroism and IR Absorption Spectra of Amino Acids: A Density Functional Study

Determination of the Absolute Configurations of Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotation: The Iridoids Plumericin and Isoplumericin

Cisplatin-DNA Adducts by Vibrational Circular Dichroism Spectroscopy: Structure and Isomerization of d(CCTG*G*TCC)·d(GGACCAGG) Intrastrand Cross-Linked by Cisplatin

Infrared vibrational circular dichroism

Valence optical theory of vibrational circular dichroism and Raman optical activity

Cisplatin-DNA Adducts by Vibrational Circular Dichroism Spectroscopy: Structure and Isomerization of d(CCTGGTCC)·d(GGACCAGG) Intrastrand Cross-Linked by Cisplatin