Vibrational circular dichroism in amino acids and peptides. 6. Localized molecular orbital calculations of the carbon-hydrogen stretching vibrational circular dichroism in deuterated isotopomers of alanine

Teresa B. Freedman; Max Diem; Prasad L. Polavarapu; Laurence A. Nafie

doi:10.1021/ja00376a016

Vibrational circular dichroism in amino acids and peptides. 6. Localized molecular orbital calculations of the carbon-hydrogen stretching vibrational circular dichroism in deuterated isotopomers of alanine

Journal of the American Chemical Society ◽

10.1021/ja00376a016 ◽

1982 ◽

Vol 104 (12) ◽

pp. 3343-3349 ◽

Cited By ~ 22

Author(s):

Teresa B. Freedman ◽

Max Diem ◽

Prasad L. Polavarapu ◽

Laurence A. Nafie

Keyword(s):

Amino Acids ◽

Circular Dichroism ◽

Molecular Orbital ◽

Vibrational Circular Dichroism ◽

Molecular Orbital Calculations ◽

Circular Dichroïsm

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ChemInform Abstract: VIBRATIONAL CIRCULAR DICHROISM IN AMINO ACIDS AND PEPTIDES. 6. LOCALIZED MOLECULAR ORBITAL CALCULATIONS OF THE CARBON-HYDROGEN STRETCHING VIBRATIONAL CIRCULAR DICHROISM IN DEUTERATED ISOTOPOMERS OF ALANINE

Chemischer Informationsdienst ◽

10.1002/chin.198239063 ◽

1982 ◽

Vol 13 (39) ◽

Author(s):

T. B. FREEDMAN ◽

M. DIEM ◽

P. L. POLAVARAPU ◽

L. A. NAFIE

Keyword(s):

Amino Acids ◽

Circular Dichroism ◽

Molecular Orbital ◽

Vibrational Circular Dichroism ◽

Molecular Orbital Calculations ◽

Circular Dichroïsm

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Localized molecular orbital calculations of vibrational circular dichroism. II. CNDO formulation and results for the hydrogen stretching vibrations of (+)‐(3R)‐methylcyclohexanone

The Journal of Chemical Physics ◽

10.1063/1.442385 ◽

1981 ◽

Vol 75 (6) ◽

pp. 2945-2951 ◽

Cited By ~ 13

Author(s):

Prasad L. Polavarapu ◽

Laurence A. Nafie

Keyword(s):

Circular Dichroism ◽

Molecular Orbital ◽

Vibrational Circular Dichroism ◽

Molecular Orbital Calculations ◽

Stretching Vibrations ◽

Circular Dichroïsm

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Localized molecular orbital calculations of vibrational circular dichroism. I. General theoretical formalism and CNDO results for the carbon–deuterium stretching vibration in neopentyl‐1‐d‐chloride

The Journal of Chemical Physics ◽

10.1063/1.442384 ◽

1981 ◽

Vol 75 (6) ◽

pp. 2935-2944 ◽

Cited By ~ 22

Author(s):

Laurence A. Nafie ◽

Prasad L. Polavarapu

Keyword(s):

Circular Dichroism ◽

Molecular Orbital ◽

Vibrational Circular Dichroism ◽

Molecular Orbital Calculations ◽

Stretching Vibration ◽

Circular Dichroïsm

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Vibrational circular dichroism theory: a localized molecular orbital model

Chemical Physics Letters ◽

10.1016/0009-2614(77)87010-3 ◽

1977 ◽

Vol 49 (3) ◽

pp. 441-446 ◽

Cited By ~ 40

Author(s):

Laurence A. Nafie ◽

Thomas H. Walnut

Keyword(s):

Circular Dichroism ◽

Molecular Orbital ◽

Vibrational Circular Dichroism ◽

Circular Dichroïsm ◽

Molecular Orbital Model

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ChemInform Abstract: VIBRATIONAL CIRCULAR DICHROISM IN AMINO ACIDS AND PEPTIDES. 9. CARBON-HYDROGEN STRETCHING SPECTRA OF THE AMINO ACIDS AND SELECTED TRANSITION-METAL COMPLEXES

Chemischer Informationsdienst ◽

10.1002/chin.198530052 ◽

1985 ◽

Vol 16 (30) ◽

Author(s):

M. R. OBOODI ◽

B. B. LAL ◽

D. A. YOUNG ◽

T. B. FREEDMAN ◽

L. A. NAFIE

Keyword(s):

Amino Acids ◽

Circular Dichroism ◽

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Vibrational Circular Dichroism ◽

Circular Dichroïsm

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Vibrational circular dichroism as a probe of solid‐state organisation of derivatives of cyclic β‐amino acids: Cis ‐ and trans ‐2‐aminocyclobutane‐1‐carboxylic acid

Chirality ◽

10.1002/chir.23083 ◽

2019 ◽

Vol 31 (8) ◽

pp. 547-560 ◽

Cited By ~ 5

Author(s):

Valérie Declerck ◽

Ariel Pérez‐Mellor ◽

Régis Guillot ◽

David J. Aitken ◽

Michel Mons ◽

...

Keyword(s):

Amino Acids ◽

Circular Dichroism ◽

Solid State ◽

Carboxylic Acid ◽

Vibrational Circular Dichroism ◽

Cis And Trans ◽

Derivatives Of ◽

Circular Dichroïsm

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ChemInform Abstract: VIBRATIONAL CIRCULAR DICHROISM IN AMINO ACIDS AND PEPTIDES. 5. CARBON-HYDROGEN, STRETCHING VIBRATIONAL CIRCULAR DICHROISM AND FIXED PARTIAL CHARGE CALCULATIONS FOR DEUTERATED ISOTOPOMERS OF ALANINE

Chemischer Informationsdienst ◽

10.1002/chin.198239062 ◽

1982 ◽

Vol 13 (39) ◽

Author(s):

B. B. LAL ◽

M. DIEM ◽

P. L. POLAVARAPU ◽

M. OBOODI ◽

T. B. FREEDMAN ◽

...

Keyword(s):

Amino Acids ◽

Circular Dichroism ◽

Vibrational Circular Dichroism ◽

Partial Charge ◽

Circular Dichroïsm ◽

Charge Calculations

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Vibrational circular dichroism in the carbon-hydrogen stretching region of L-.alpha.-amino acids as a function of pH

The Journal of Physical Chemistry ◽

10.1021/j100342a019 ◽

1989 ◽

Vol 93 (5) ◽

pp. 1771-1779 ◽

Cited By ~ 17

Author(s):

William M. Zuk ◽

Teresa B. Freedman ◽

Laurence A. Nafie

Keyword(s):

Amino Acids ◽

Circular Dichroism ◽

Vibrational Circular Dichroism ◽

Circular Dichroïsm

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Application of Solid-State Vibrational Circular Dichroism for Intercalation Compounds of Layered Double Hydroxide and Amino Acids: Conformation of an Intercalated Phenylalanine

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.20190161 ◽

2019 ◽

Vol 92 (10) ◽

pp. 1779-1784 ◽

Cited By ~ 2

Author(s):

Hisako Sato ◽

Kazuyoshi Takimoto ◽

Izuru Kawamura ◽

Sumio Aisawa

Keyword(s):

Amino Acids ◽

Circular Dichroism ◽

Solid State ◽

Layered Double Hydroxide ◽

Vibrational Circular Dichroism ◽

Intercalation Compounds ◽

Double Hydroxide ◽

Circular Dichroïsm

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Vibrational circular dichroism of trans-1,2-dideuteriocyclobutane. A comparison of fixed partial charge and localized molecular orbital theories with different force fields

Journal of the American Chemical Society ◽

10.1021/ja00333a025 ◽

1984 ◽

Vol 106 (21) ◽

pp. 6254-6262 ◽

Cited By ~ 16

Author(s):

A. Annamalai ◽

T. A. Keiderling ◽

J. S. Chickos

Keyword(s):

Circular Dichroism ◽

Molecular Orbital ◽

Force Fields ◽

Vibrational Circular Dichroism ◽

Partial Charge ◽

Circular Dichroïsm

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