Ab initio quantum mechanical calculations of the magnetic shielding constants of the different nuclei of cytosine

C. Giessner-Prettre; B. Pullman

doi:10.1021/ja00365a016

Ab initio quantum mechanical calculations of the magnetic shielding constants of the different nuclei of cytosine

Journal of the American Chemical Society ◽

10.1021/ja00365a016 ◽

1982 ◽

Vol 104 (1) ◽

pp. 70-73 ◽

Cited By ~ 15

Author(s):

C. Giessner-Prettre ◽

B. Pullman

Keyword(s):

Ab Initio ◽

Quantum Mechanical ◽

Magnetic Shielding ◽

Quantum Mechanical Calculations ◽

Shielding Constants

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Ab initio quantum-mechanical calculations of magnetic shielding constants of 13C, 15N and 19F in CF 3X(X = H,F,CN,CI,NO)

Chemical Physics Letters ◽

10.1016/0009-2614(82)80094-8 ◽

1982 ◽

Vol 92 (2) ◽

pp. 150-155 ◽

Cited By ~ 7

Author(s):

S.K. Garg ◽

John S. Tse

Keyword(s):

Ab Initio ◽

Quantum Mechanical ◽

Magnetic Shielding ◽

Quantum Mechanical Calculations ◽

Shielding Constants

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ChemInform Abstract: AB INITIO QUANTUM MECHANICAL CALCULATIONS OF THE MAGNETIC SHIELDING CONSTANTS OF THE DIFFERENT NUCLEI OF CYTOSINE

Chemischer Informationsdienst ◽

10.1002/chin.198216056 ◽

1982 ◽

Vol 13 (16) ◽

Author(s):

C. GIESSNER-PRETTRE ◽

B. PULLMAN

Keyword(s):

Ab Initio ◽

Quantum Mechanical ◽

Magnetic Shielding ◽

Quantum Mechanical Calculations ◽

Shielding Constants

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Ab initio quantum mechanical calculations of the variation of the 1H and 13C nuclear magnetic shielding constants in proline as a function of the angle psi

European Journal of Biochemistry ◽

10.1111/j.1432-1033.1987.tb10739.x ◽

1987 ◽

Vol 163 (1) ◽

pp. 79-87 ◽

Cited By ~ 13

Author(s):

Claude GIESSNER-PRETTRE ◽

Manh Thong CUNG ◽

Michel MARRAUD

Keyword(s):

Ab Initio ◽

Quantum Mechanical ◽

Magnetic Shielding ◽

Quantum Mechanical Calculations ◽

Shielding Constants ◽

Nuclear Magnetic

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ChemInform Abstract: AB INITIO QUANTUM MECHANICAL CALCULATIONS OF THE MAGNETIC SHIELDING TENSOR OF PHOSPHORUS-31 OF THE PHOSPHATE GROUP

Chemischer Informationsdienst ◽

10.1002/chin.197927071 ◽

1979 ◽

Vol 10 (27) ◽

Author(s):

F. RIBAS PRADO ◽

C. GIESSNER-PRETTRE ◽

B. PULLMAN ◽

J.-P. DAUDEY

Keyword(s):

Ab Initio ◽

Phosphate Group ◽

Quantum Mechanical ◽

Magnetic Shielding ◽

Quantum Mechanical Calculations ◽

Shielding Tensor

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Nonempirical quantum mechanical calculations of three contributions to the variation of nuclear magnetic shielding constants with intermolecular interactions. I. Method and applications to water and methane

Journal of Magnetic Resonance (1969) ◽

10.1016/0022-2364(83)90277-9 ◽

1983 ◽

Vol 55 (1) ◽

pp. 64-77 ◽

Cited By ~ 3

Author(s):

C Giessner-Prettre ◽

S Ferchiou

Keyword(s):

Intermolecular Interactions ◽

Quantum Mechanical ◽

Magnetic Shielding ◽

Quantum Mechanical Calculations ◽

Shielding Constants ◽

Nuclear Magnetic

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Ab initio quantum-mechanical calculations of the variation of the magnetic shielding constant of hydrogen and carbon 13 nuclei of the dimethylphosphate anion as a function of molecular conformation: A model study for nucleic acid constituents

International Journal of Quantum Chemistry ◽

10.1002/qua.560160735 ◽

2009 ◽

Vol 16 (S6) ◽

pp. 491-501

Author(s):

F. Ribas Prado ◽

C. Giessner-Prettre ◽

B. Pullman

Keyword(s):

Nucleic Acid ◽

Ab Initio ◽

Molecular Conformation ◽

Quantum Mechanical ◽

Magnetic Shielding ◽

Quantum Mechanical Calculations ◽

Model Study

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Ab initio quantum mechanical calculations of the magnetic shielding tensor of phosphorus-31 of the phosphate group

Journal of the American Chemical Society ◽

10.1021/ja00501a016 ◽

1979 ◽

Vol 101 (7) ◽

pp. 1737-1742 ◽

Cited By ~ 68

Author(s):

F. Ribas Prado ◽

C. Giessner-Prettre ◽

B. Pullman ◽

J. P. Daudey

Keyword(s):

Ab Initio ◽

Phosphate Group ◽

Quantum Mechanical ◽

Magnetic Shielding ◽

Quantum Mechanical Calculations ◽

Shielding Tensor

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ChemInform Abstract: NON EMPIRICAL QUANTUM MECHANICAL CALCULATIONS OF THE (1)H, (13)C, (15)N, AND (17)O MAGNETIC SHIELDING CONSTANTS AND OF THE SPIN-SPIN COUPLING CONSTANTS IN FORMAMIDE, HYDRATED FORMAMIDE AND N-METHYLFORMAMIDE

Chemischer Informationsdienst ◽

10.1002/chin.198133073 ◽

1981 ◽

Vol 12 (33) ◽

Author(s):

F. RIBAS PRADO ◽

C. GIESSNER-PRETRE ◽

A. PULLMAN ◽

J. F. HINTON ◽

D. HARPOOL ◽

...

Keyword(s):

Coupling Constants ◽

Spin Coupling ◽

Quantum Mechanical ◽

Magnetic Shielding ◽

Quantum Mechanical Calculations ◽

Shielding Constants ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Nonempirical quantum-mechanical calculations of contributions of intermolecular interactions to nuclear magnetic shielding constants. II. applications to conjugated molecules

Journal of Magnetic Resonance (1969) ◽

10.1016/0022-2364(85)90081-2 ◽

1985 ◽

Vol 61 (2) ◽

pp. 262-271 ◽

Cited By ~ 1

Author(s):

S Ferchiou ◽

C Giessner-Prettre

Keyword(s):

Intermolecular Interactions ◽

Quantum Mechanical ◽

Magnetic Shielding ◽

Quantum Mechanical Calculations ◽

Conjugated Molecules ◽

Shielding Constants ◽

Nuclear Magnetic

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Non empirical quantum mechanical calculations of the1H,13C,15N and17O magnetic shielding constants and of the spin-spin coupling constants in formamide, hydrated formamide and N-methylformamide

Theoretica Chimica Acta ◽

10.1007/bf00574436 ◽

1981 ◽

Vol 59 (1) ◽

pp. 55-69 ◽

Cited By ~ 31

Author(s):

Fernando Ribas Prado ◽

Claude Giessner-Prettre ◽

Alberte Pullman ◽

James F. Hinton ◽

Dennis Harpool ◽

...

Keyword(s):

Coupling Constants ◽

Spin Coupling ◽

Quantum Mechanical ◽

Magnetic Shielding ◽

Quantum Mechanical Calculations ◽

Shielding Constants ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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