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Matrix isolation studies of nucleic acid constituents. 2. Quantitative ab initio prediction of the infrared spectrum of in-plane modes of uracil
Journal of the American Chemical Society
◽
10.1021/ja00324a006
◽
1984
◽
Vol 106
(12)
◽
pp. 3415-3422
◽
Cited By ~ 82
Author(s):
Steven Chin
◽
Ismael Scott
◽
Krystyna Szczepani
◽
Willis B. Person
Keyword(s):
Nucleic Acid
◽
Infrared Spectrum
◽
Ab Initio
◽
Matrix Isolation
◽
Ab Initio Prediction
Download Full-text
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Cited By
References
ChemInform Abstract: MATRIX ISOLATION STUDIES OF NUCLEIC ACID CONSTITUENTS. 2. QUANTITATIVE AB INITIO PREDICTION OF THE INFRARED SPECTRUM OF IN-PLANE MODES OF URACIL
Chemischer Informationsdienst
◽
10.1002/chin.198438044
◽
1984
◽
Vol 15
(38)
◽
Author(s):
S. CHIN
◽
I. SCOTT
◽
K. SZCZEPANIAK
◽
W. B. PERSON
Keyword(s):
Nucleic Acid
◽
Infrared Spectrum
◽
Ab Initio
◽
Matrix Isolation
◽
Ab Initio Prediction
Download Full-text
Combined matrix-isolation FT-IR and ab-initio 6-31++G∗∗ studies on tautomeric properties of nucleic acid bases and simpler model molecules
Journal of Molecular Structure
◽
10.1016/s0022-2860(96)09498-7
◽
1997
◽
Vol 410-411
◽
pp. 397-401
Author(s):
Linda Houben
◽
Kristien Schoone
◽
Johan Smets
◽
Ludwik Adamowicz
◽
Guido Maes
Keyword(s):
Nucleic Acid
◽
Ab Initio
◽
Matrix Isolation
◽
Nucleic Acid Bases
◽
Ft Ir
◽
Combined Matrix
Download Full-text
Infrared spectrum and structure of an ammonia—carbon dioxide complex. A comparison between AB initio mo calculations and matrix isolation results
Chemical Physics
◽
10.1016/0301-0104(77)87081-x
◽
1977
◽
Vol 25
(2)
◽
pp. 263-269
◽
Cited By ~ 43
Author(s):
B. Jönsson
◽
B. Nelander
Keyword(s):
Carbon Dioxide
◽
Infrared Spectrum
◽
Ab Initio
◽
Matrix Isolation
◽
Mo Calculations
◽
Ab Initio Mo Calculations
◽
Ab Initio Mo
Download Full-text
Matrix isolation infrared studies of nucleic acid constituents. 5. Experimental matrix-isolation and theoretical ab initio SCF molecular orbital studies of the infrared spectra of cytosine monomers
Journal of the American Chemical Society
◽
10.1021/ja00233a006
◽
1988
◽
Vol 110
(25)
◽
pp. 8319-8330
◽
Cited By ~ 180
Author(s):
M. Szczesniak
◽
K. Szczepaniak
◽
J. S. Kwiatkowski
◽
K. KuBulat
◽
W. B. Person
Keyword(s):
Nucleic Acid
◽
Ab Initio
◽
Molecular Orbital
◽
Infrared Spectra
◽
Matrix Isolation
◽
Infrared Studies
Download Full-text
Combined Matrix-Isolation FT-IR and AB Initio 6-31 + + G** Studies on the Tautomerism and H-bonding Properties of Nucleic Acid Bases and Simpler Model Molecules
Low Temperature Molecular Spectroscopy
◽
10.1007/978-94-009-0281-7_5
◽
1996
◽
pp. 147-167
Author(s):
G. H. Maes
◽
J. Smets
◽
L. Adamowicz
Keyword(s):
Nucleic Acid
◽
Ab Initio
◽
Matrix Isolation
◽
Nucleic Acid Bases
◽
Bonding Properties
◽
Ft Ir
◽
Combined Matrix
Download Full-text
Ab Initio Prediction of Crystal Structures
Acta Crystallographica Section A Foundations of Crystallography
◽
10.1107/s0108767300021188
◽
2000
◽
Vol 56
(s1)
◽
pp. s3-s3
◽
Cited By ~ 6
Author(s):
B. P. van Eijck
Keyword(s):
Ab Initio
◽
Crystal Structures
◽
Ab Initio Prediction
Download Full-text
Structure-Based Ab Initio Prediction of Transcription Factor–Binding Sites
Methods in Molecular Biology - Computational Systems Biology
◽
10.1007/978-1-59745-243-4_2
◽
2009
◽
pp. 23-41
◽
Cited By ~ 8
Author(s):
L. Angela Liu
◽
Joel S. Bader
Keyword(s):
Transcription Factor
◽
Ab Initio
◽
Binding Sites
◽
Transcription Factor Binding Sites
◽
Transcription Factor Binding
◽
Factor Binding
◽
Ab Initio Prediction
Download Full-text
Ab Initio Prediction of the Redox Potentials of 3d Transition Metals Embedded in a Semiconducting Host Lattice
The Journal of Physical Chemistry C
◽
10.1021/acs.jpcc.0c11203
◽
2021
◽
Vol 125
(7)
◽
pp. 4267-4276
Author(s):
William Lafargue-Dit-Hauret
◽
Camille Latouche
◽
Stéphane Jobic
Keyword(s):
Transition Metals
◽
Ab Initio
◽
Host Lattice
◽
Redox Potentials
◽
Ab Initio Prediction
Download Full-text
Ab initio prediction of gas phase molecular structure of 1-chlorsilatrane
10.1063/1.47696
◽
1995
◽
Author(s):
Gábor I. Csonka
◽
Pál Hencsei
Keyword(s):
Molecular Structure
◽
Ab Initio
◽
Gas Phase
◽
Ab Initio Prediction
Download Full-text
Accurate ab initio prediction of propagation rate coefficients in free-radical polymerization: Acrylonitrile and vinyl chloride
Chemical Physics
◽
10.1016/j.chemphys.2005.09.042
◽
2006
◽
Vol 324
(1)
◽
pp. 96-110
◽
Cited By ~ 87
Author(s):
Ekaterina I. Izgorodina
◽
Michelle L. Coote
Keyword(s):
Free Radical
◽
Ab Initio
◽
Radical Polymerization
◽
Vinyl Chloride
◽
Free Radical Polymerization
◽
Propagation Rate
◽
Rate Coefficients
◽
Ab Initio Prediction
Download Full-text
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