2001, Volume 105B Quantum Chemical Study on Oxygen-17 and Nitrogen-14 Quadrupole Coupling Parameters of Peptide Bonds in α-Helix and β-Sheet Proteins

Maricel Torrent; Danielle Mansour; Edmund P. Day; Keiji Morokuma

doi:10.1021/jp011934s

2001, Volume 105B Quantum Chemical Study on Oxygen-17 and Nitrogen-14 Quadrupole Coupling Parameters of Peptide Bonds in α-Helix and β-Sheet Proteins

The Journal of Physical Chemistry B ◽

10.1021/jp011934s ◽

2001 ◽

Vol 105 (33) ◽

pp. 8064-8064

Author(s):

Maricel Torrent ◽

Danielle Mansour ◽

Edmund P. Day ◽

Keiji Morokuma

Keyword(s):

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Peptide Bonds ◽

Quadrupole Coupling ◽

Coupling Parameters ◽

Α Helix ◽

Β Sheet

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Quantum Chemical Study on Oxygen-17 and Nitrogen-14 Nuclear Quadrupole Coupling Parameters of Peptide Bonds in α-Helix and β-Sheet Proteins

The Journal of Physical Chemistry A ◽

10.1021/jp004398x ◽

2001 ◽

Vol 105 (18) ◽

pp. 4546-4557 ◽

Cited By ~ 15

Author(s):

Maricel Torrent ◽

Danielle Mansour ◽

Edmund P. Day ◽

Keiji Morokuma

Keyword(s):

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Peptide Bonds ◽

Quadrupole Coupling ◽

Coupling Parameters ◽

Nuclear Quadrupole ◽

Α Helix ◽

Β Sheet

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Nuclear Magnetic Shielding and Quadrupole Coupling Tensors in Liquid Water: A Combined Molecular Dynamics Simulation and Quantum Chemical Study

Journal of the American Chemical Society ◽

10.1021/ja048049i ◽

2004 ◽

Vol 126 (35) ◽

pp. 11093-11102 ◽

Cited By ~ 49

Author(s):

Teemu S. Pennanen ◽

Juha Vaara ◽

Perttu Lantto ◽

Atte J. Sillanpää ◽

Kari Laasonen ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Liquid Water ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Dynamics Simulation ◽

Magnetic Shielding ◽

Quadrupole Coupling ◽

Nuclear Magnetic

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Quantum chemical study of the HCl molecule and its binary complexes with CO, C2H2, C2H4, PH3, H2S, HCN, H2O and NH3: Hydrogen bonding and its effect on the 35Cl nuclear quadrupole coupling constant

Chemical Physics ◽

10.1016/0301-0104(90)80071-5 ◽

1990 ◽

Vol 144 (1) ◽

pp. 53-69 ◽

Cited By ~ 34

Author(s):

George B. Bacskay ◽

Denise I. Kerdraon ◽

Noel S. Hush

Keyword(s):

Hydrogen Bonding ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Quadrupole Coupling Constant ◽

Coupling Constant ◽

Binary Complexes ◽

Nuclear Quadrupole Coupling Constant ◽

Quadrupole Coupling ◽

Nuclear Quadrupole

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Nuclear quadrupole coupling constants in alkali halide molecules: an ab initio quantum chemical study

Molecular Physics ◽

10.1080/00268979709482729 ◽

1997 ◽

Vol 91 (3) ◽

pp. 391-400 ◽

Cited By ~ 2

Author(s):

G.B. BACSKAY ◽

A.D. BUCKINGHAM

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Alkali Halide ◽

Quantum Chemical Study ◽

Chemical Study ◽

Coupling Constants ◽

Quadrupole Coupling ◽

Nuclear Quadrupole

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A QUANTUM CHEMICAL STUDY OF THE MOLECULAR STRUCTURE OF ZINC(II) AND BORON(III) COMPLEXES WITH MONOIODO AND DIBROMO SUBSTITUTED DIPYRRINES

Журнал структурной химии ◽

10.15372/jsc20160104 ◽

2016 ◽

Vol 57 (1) ◽

Keyword(s):

Molecular Structure ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study

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A quantum chemical study of the acidity of acetylene and 1,2-dihydrobuckminsterfullerene de-rivatives

Журнал структурной химии ◽

10.26902/jsc20180107 ◽

2018 ◽

Vol 59 (1) ◽

pp. 51-53

Author(s):

M. V. Makarova ◽

◽

S. G. Semenov ◽

R. R. Kostikov ◽

◽

...

Keyword(s):

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study

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REACTION KINETICS OF CO AND CH4 MOLECULES WITH O2 IN EXCITED ELECTRONIC STATES: QUANTUM CHEMICAL STUDY

8th International Symposium on Nonequilibrium Processes, Plasma, Combustion, and Atmospheric Phenomena held Том. Volum 1. Kinetics and plasma ◽

10.30826/nepcap2018-1-03 ◽

2018 ◽

Author(s):

A. S SHARIPOV ◽

◽

A. V. PELEVKIN ◽

Keyword(s):

Reaction Kinetics ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Electronic States ◽

Chemical Study ◽

Excited Electronic States ◽

Kinetics Of

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A quantum chemical study of interactions between AU3– anion and amino acids

Can Tho University Journal of Science ◽

10.22144/ctu.jen.2016.031 ◽

2016 ◽

Vol 03 ◽

pp. 108

Author(s):

Nhat, P.V.

Keyword(s):

Amino Acids ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study

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Quantum chemical study of basicities of carbofunctional organosilicon compounds. The α-effect

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19752480 ◽

1975 ◽

Vol 40 (8) ◽

pp. 2480-2486 ◽

Cited By ~ 7

Author(s):

R. Ponec ◽

V. Chvalovský

Keyword(s):

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Organosilicon Compounds

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Quantum chemical study of the effects of substituents on the π-electron structure and reactivity of chalcone

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19733365 ◽

1973 ◽

Vol 38 (11) ◽

pp. 3365-3371 ◽

Cited By ~ 9

Author(s):

J. Leška ◽

P. Zahradník

Keyword(s):

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Electron Structure

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