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Quantum Chemistry and Chemometrics Applied to Conformational Analysis
Quantum Chemistry - Molecules for Innovations
◽
10.5772/34994
◽
2012
◽
Author(s):
Aline Thas
◽
Vitor Barbanti Pereira Leite
Keyword(s):
Quantum Chemistry
◽
Conformational Analysis
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References
Conformational analysis of a polyconjugated protein-binding ligand by joint quantum chemistry and polarizable molecular mechanics. Addressing the issues of anisotropy, conjugation, polarization, and multipole transferability
Journal of Molecular Modeling
◽
10.1007/s00894-014-2472-5
◽
2014
◽
Vol 20
(11)
◽
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Author(s):
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◽
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◽
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◽
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◽
...
Keyword(s):
Quantum Chemistry
◽
Protein Binding
◽
Conformational Analysis
◽
Molecular Mechanics
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ChemInform Abstract: CONFORMATIONAL ANALYSIS PART 91, ORGANIC QUANTUM CHEMISTRY PART 31, PROPIONALDEHYDE, AB INITO AND SEMI-EMPIRICAL CALCULATIONS
Chemischer Informationsdienst
◽
10.1002/chin.197347112
◽
1973
◽
Vol 4
(47)
◽
pp. no-no
Author(s):
NORMAN L. ALLINGER
◽
MARY JAMES HICKEY
Keyword(s):
Quantum Chemistry
◽
Conformational Analysis
◽
Semi Empirical
◽
Ab Inito
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Chemistry of naphthazarin derivatives 13. Conformational analysis of 3-(alk-1-enyl)-2-hydroxy-1,4-naphthoquinones by quantum chemistry methods
Russian Chemical Bulletin
◽
10.1007/s11172-006-0480-z
◽
2006
◽
Vol 55
(10)
◽
pp. 1729-1736
◽
Cited By ~ 7
Author(s):
V. P. Glazunov
◽
D. V. Berdyshev
◽
A. Ya. Yakubovskaya
◽
N. D. Pokhilo
Keyword(s):
Quantum Chemistry
◽
Conformational Analysis
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ChemInform Abstract: CONFORMATIONAL ANALYSIS PART 90, ORGANIC QUANTUM CHEMISTRY PART 30, CALCULATION OF THE STRUCTURES OF HYDROCARBONS BY THE MOLECULAR MECHANICS METHOD
Chemischer Informationsdienst
◽
10.1002/chin.197333087
◽
1973
◽
Vol 4
(33)
◽
pp. no-no
Author(s):
NORMAN L. ALLINGER
◽
JOSEPH T. SPRAGUE
Keyword(s):
Quantum Chemistry
◽
Conformational Analysis
◽
Molecular Mechanics
◽
Molecular Mechanics Method
Download Full-text
Conformational analysis of 1,2:3,4-di-O-isopropylidene-α-?-galacto-octopyranose derivatives: A 1H- and 13C-n.m.r.-spectral and x-ray comparative study
Carbohydrate Research
◽
10.1016/s0008-6215(00)85108-3
◽
1980
◽
Vol 78
(2)
◽
pp. 29-37
Author(s):
K R. Pachler
Keyword(s):
Comparative Study
◽
Conformational Analysis
◽
X Ray
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Crystal structures of (±)-1,4-di-O-benzoyl-2,3-O-isopropylidene-myo-inositol and (±)-1,4-di-O-benzoyl-5,6-O-isopropylidene-myo-inositol: a conformational analysis
Carbohydrate Research
◽
10.1016/s0008-6215(96)00228-5
◽
1996
◽
Vol 295
(1-4)
◽
pp. 1-6
Author(s):
C Sung-Kee
Keyword(s):
Conformational Analysis
◽
Crystal Structures
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Conformational analysis of liquid dimethyl carbonate by molecular dynamics calculations
Molecular Physics
◽
10.1080/00268979809482199
◽
1998
◽
Vol 93
(1)
◽
pp. 153-158
◽
Cited By ~ 7
Author(s):
OKIMASA OKADA
Keyword(s):
Molecular Dynamics
◽
Conformational Analysis
◽
Dimethyl Carbonate
◽
Molecular Dynamics Calculations
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Conformational Analysis of Cyclic Opioid Peptide Analogs
PsycEXTRA Dataset
◽
10.1037/e496552006-007
◽
1988
◽
Author(s):
Peter W. Schiller
◽
Brian C. Wilkes
Keyword(s):
Conformational Analysis
◽
Opioid Peptide
◽
Peptide Analogs
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Conformational Analysis of Opioid Receptor-Selective Peptides Using Nuclear Magnetic Resonance and Theoretical Calculations
PsycEXTRA Dataset
◽
10.1037/e496242006-013
◽
1991
◽
Author(s):
Victor J. Hurby
◽
◽
Om Prakash
◽
Wieslaw Kazmierski
◽
Catherine Gehrig
◽
...
Keyword(s):
Nuclear Magnetic Resonance
◽
Magnetic Resonance
◽
Conformational Analysis
◽
Opioid Receptor
◽
Theoretical Calculations
◽
Nuclear Magnetic
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The scope and limitations of cyanide groups as direction labels for the conformational analysis of matrix-isolated molecules of low symmetry. Part 2: 3-Cyanophenyl azide and two conformationally restrained derivatives
Spectrochimica Acta Part A Molecular Spectroscopy
◽
10.1016/s0584-8539(97)81428-6
◽
1997
◽
Vol 53
(2)
◽
pp. 141-150
◽
Cited By ~ 1
Author(s):
I Dunkin
Keyword(s):
Conformational Analysis
◽
Conformationally Restrained
◽
Low Symmetry
◽
Isolated Molecules
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