Density functional theory study of nitrogen-14 nuclear quadrupole coupling parameters of L-histidine: hydrogen-bonded system

Maryam Mitra Elmi; Abbas Ali Kaykhaei; Fatemeh Elmi

doi:10.1002/mrc.3809

Density functional theory study of nitrogen-14 nuclear quadrupole coupling parameters of L-histidine: hydrogen-bonded system

Magnetic Resonance in Chemistry ◽

10.1002/mrc.3809 ◽

2012 ◽

Vol 50 (4) ◽

pp. 314-319 ◽

Cited By ~ 2

Author(s):

Maryam Mitra Elmi ◽

Abbas Ali Kaykhaei ◽

Fatemeh Elmi

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Quadrupole Coupling ◽

Coupling Parameters ◽

Nuclear Quadrupole ◽

Hydrogen Bonded

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Density functional theory study of N–H⋯O, O–H⋯O and C–H⋯O hydrogen-bonding effects on the 14N and 2H nuclear quadrupole coupling tensors of N-acetyl-valine

Biophysical Chemistry ◽

10.1016/j.bpc.2007.11.006 ◽

2008 ◽

Vol 133 (1-3) ◽

pp. 11-18 ◽

Cited By ~ 26

Author(s):

Mehdi D. Esrafili ◽

Hadi Behzadi ◽

Nasser L. Hadipour

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Quadrupole Coupling ◽

Nuclear Quadrupole

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Single-Wall GaN Nanotubes: A Density Functional Theory Study of Ga-69 and N-14 Quadrupole Coupling Constants

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2009.1101 ◽

2009 ◽

Vol 6 (3) ◽

pp. 732-736 ◽

Cited By ~ 3

Author(s):

Ahmad Seif ◽

Asadollah Boshra

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Coupling Constants ◽

Density Functional Theory Study ◽

Functional Theory ◽

Quadrupole Coupling

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Influence of Carbon-Doping by Boron/Nitrogen Substitution in Boron Nitride Nanotube, a Density Functional Theory Study of Nuclear Quadrupole Resonance Parameters

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2013.2655 ◽

2013 ◽

Vol 10 (1) ◽

pp. 48-53 ◽

Cited By ~ 1

Author(s):

Jasleen Kaur ◽

Neetu Goel

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Carbon Doping ◽

Boron Nitride Nanotube ◽

Density Functional Theory Study ◽

Functional Theory ◽

Quadrupole Resonance ◽

Nuclear Quadrupole ◽

Nitrogen Substitution ◽

Boron Nitrogen

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Time-Dependent Density Functional Theory Study on the Electronic Excited State of Hydrogen-Bonded Clusters Formed by 2-Hydroxybenzonitrile (o-Cyanophenol) and Carbon Monoxide

Journal of Cluster Science ◽

10.1007/s10876-011-0406-2 ◽

2011 ◽

Vol 22 (3) ◽

pp. 501-511 ◽

Cited By ~ 10

Author(s):

Jiazuo Zhang ◽

Guangyan Zhao ◽

Ruizhou Li ◽

Dongyu Hou

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited State ◽

Dependent Density ◽

Hydrogen Bonded

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Time-dependent density functional theory study on electronic excited states of the hydrogen-bonded solute–solvent phenol–(H2O)n (n=3–5) clusters

Journal of Luminescence ◽

10.1016/j.jlumin.2011.06.006 ◽

2011 ◽

Vol 131 (11) ◽

pp. 2279-2285 ◽

Cited By ~ 7

Author(s):

Se Wang ◽

Ce Hao ◽

Zhanxian Gao ◽

Jingwen Chen ◽

Jieshan Qiu

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited States ◽

Dependent Density ◽

Hydrogen Bonded

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Density functional theory calculations of nuclear quadrupole coupling constants with calibrated 17O quadrupole moments

Molecular Physics ◽

10.1080/002689799163749 ◽

1999 ◽

Vol 97 (3) ◽

pp. 347-354

Author(s):

G. DE LUCA, N. RUSSO, A. M. KOSTER, P.

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Coupling Constants ◽

Quadrupole Moments ◽

Functional Theory ◽

Quadrupole Coupling ◽

Nuclear Quadrupole

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Density functional theory calculations of nuclear quadrupole coupling constants with calibrated14N quadrupole moments

Molecular Physics ◽

10.1080/00268970110042820 ◽

2001 ◽

Vol 99 (12) ◽

pp. 1039-1051 ◽

Cited By ~ 10

Author(s):

E. SICILIA ◽

G. DE LUCA ◽

S. CHIODO ◽

N. RUSSO ◽

P. CALAMINICI ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Coupling Constants ◽

Quadrupole Moments ◽

Functional Theory ◽

Quadrupole Coupling ◽

Nuclear Quadrupole

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Hydrogen-bonded dimers in self-association of 5-substituted uracil derivatives and hetero-association with l-cysteine. A density functional theory study

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2009.12.007 ◽

2010 ◽

Vol 944 (1-3) ◽

pp. 1-11 ◽

Cited By ~ 12

Author(s):

Fernando Peral ◽

Dolores Troitiño

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Uracil Derivatives ◽

Self Association ◽

Hydrogen Bonded

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Formation of hydrogen-bonded dimers of uracil and amino acids: Cysteine, lysine and phenylalanine. A density functional theory study

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.05.034 ◽

2006 ◽

Vol 767 (1-3) ◽

pp. 131-138 ◽

Cited By ~ 14

Author(s):

Dolores Troitiño ◽

Lorna Bailey ◽

Fernando Peral

Keyword(s):

Amino Acids ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydrogen Bonded

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A Density Functional Theory Study for the Hydrogen-Bonded Nucleic Acid Base Pair: Cytosine Dimer

The Journal of Physical Chemistry A ◽

10.1021/jp0459965 ◽

2005 ◽

Vol 109 (12) ◽

pp. 2887-2893 ◽

Cited By ~ 11

Author(s):

Prabhat K. Sahu ◽

Rama K. Mishra ◽

Shyi-Long Lee

Keyword(s):

Density Functional Theory ◽

Nucleic Acid ◽

Base Pair ◽

Density Functional ◽

Density Functional Theory Study ◽

Acid Base ◽

Functional Theory ◽

Nucleic Acid Base ◽

Hydrogen Bonded

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