Computational Study of Substituent Effects on the Interaction Energies of Hydrogen-Bonded Watson−Crick Cytosine:Guanine Base Pairs

Chunxia Xue; Paul L. A. Popelier

doi:10.1021/jp7108913

Computational Study of Substituent Effects on the Interaction Energies of Hydrogen-Bonded Watson−Crick Cytosine:Guanine Base Pairs

The Journal of Physical Chemistry B ◽

10.1021/jp7108913 ◽

2008 ◽

Vol 112 (16) ◽

pp. 5257-5264 ◽

Cited By ~ 12

Author(s):

Chunxia Xue ◽

Paul L. A. Popelier

Keyword(s):

Computational Study ◽

Substituent Effects ◽

Interaction Energies ◽

Base Pairs ◽

Hydrogen Bonded

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Interaction Energies of Hydrogen-Bonded Formamide Dimer, Formamidine Dimer, and Selected DNA Base Pairs Obtained with Large Basis Sets of Atomic Orbitals

The Journal of Physical Chemistry A ◽

10.1021/jp9943880 ◽

2000 ◽

Vol 104 (19) ◽

pp. 4592-4597 ◽

Cited By ~ 57

Author(s):

Jiří Šponer ◽

Pavel Hobza

Keyword(s):

Basis Sets ◽

Interaction Energies ◽

Base Pairs ◽

Atomic Orbitals ◽

Dna Base ◽

Dna Base Pairs ◽

Hydrogen Bonded

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Substituent effects on the hydrogen-bonded complex of aniline–H2O: a computational study

New Journal of Chemistry ◽

10.1039/b717465a ◽

2008 ◽

Vol 32 (6) ◽

pp. 1060 ◽

Cited By ~ 14

Author(s):

Menghui Cheng ◽

Xuemei Pu ◽

Ning-Bew Wong ◽

Menglong Li ◽

Anmin Tian

Keyword(s):

Computational Study ◽

Substituent Effects ◽

Hydrogen Bonded

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The prediction of energies and geometries of hydrogen bonded DNA base-pairs via a topological electrostatic potentialElectronic supplementary information (ESI) available: Comparison of the BSSE corrected interaction energies, geometrical parameters and total interaction energies of the 27 base-pair series. See http://www.rsc.org/suppdata/cp/b2/b204485d/

Physical Chemistry Chemical Physics ◽

10.1039/b204485d ◽

2002 ◽

Vol 4 (18) ◽

pp. 4353-4359 ◽

Cited By ~ 45

Author(s):

Laurent Joubert ◽

Paul L. A. Popelier

Keyword(s):

Base Pair ◽

Supplementary Information ◽

Geometrical Parameters ◽

Interaction Energies ◽

Base Pairs ◽

Dna Base ◽

Dna Base Pairs ◽

Total Interaction ◽

Hydrogen Bonded

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Accurate Interaction Energies of Hydrogen-Bonded Nucleic Acid Base Pairs

Journal of the American Chemical Society ◽

10.1021/ja048436s ◽

2004 ◽

Vol 126 (32) ◽

pp. 10142-10151 ◽

Cited By ~ 322

Author(s):

Jiří Šponer ◽

Petr Jurečka ◽

Pavel Hobza

Keyword(s):

Nucleic Acid ◽

Interaction Energies ◽

Acid Base ◽

Base Pairs ◽

Nucleic Acid Base ◽

Hydrogen Bonded

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Systematic computational study of the geometrical dependence of deuterium quadrupole interaction parameters in an O–2H⋯OC hydrogen bonded system

Chemical Physics ◽

10.1016/s0301-0104(00)00057-4 ◽

2000 ◽

Vol 256 (2) ◽

pp. 159-168 ◽

Cited By ~ 4

Author(s):

Giles W. Turner ◽

Roy L. Johnston ◽

Kenneth D.M. Harris

Keyword(s):

Quadrupole Interaction ◽

Computational Study ◽

Interaction Parameters ◽

Hydrogen Bonded

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Computational Study on the Unconventional Hydrogen-Bonded F-H···C Systems

Journal of the Chinese Chemical Society ◽

10.1002/jccs.200900078 ◽

2009 ◽

Vol 56 (3) ◽

pp. 532-538 ◽

Cited By ~ 4

Author(s):

Hsin-Yi Liao

Keyword(s):

Computational Study ◽

Hydrogen Bonded

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Substituent effects on acidity of aryl-substituted fluoroalkanes: a computational study

Journal of Physical Organic Chemistry ◽

10.1002/poc.3489 ◽

2015 ◽

Vol 29 (2) ◽

pp. 77-83 ◽

Cited By ~ 9

Author(s):

Masaaki Mishima ◽

José-Luis M. Abboud

Keyword(s):

Computational Study ◽

Substituent Effects

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- Ultrafast Vibrational Dynamics of Hydrogen-Bonded Dimers and Base Pairs

Ultrafast Infrared Vibrational Spectroscopy ◽

10.1201/b13972-6 ◽

2013 ◽

pp. 48-85

Keyword(s):

Base Pairs ◽

Vibrational Dynamics ◽

Hydrogen Bonded

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RETRACTED: Computational study of hydrogen-bonded complexes of the pyrimidinic bases of RNA and l-leucine

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2005.03.059 ◽

2005 ◽

Vol 726 (1-3) ◽

pp. 31-37 ◽

Cited By ~ 4

Author(s):

Yaying Zhao ◽

Lixin Zhou

Keyword(s):

Computational Study ◽

Bonded Complexes ◽

Hydrogen Bonded

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A computational study of hydrogen-bonded X3CH⋯YZ (X = Cl, F, NC; YZ = FLi, BF, CO, N2) complexes

Chemical Physics Letters ◽

10.1016/j.cplett.2018.02.037 ◽

2018 ◽

Vol 696 ◽

pp. 61-66 ◽

Cited By ~ 3

Author(s):

Sean A.C. McDowell

Keyword(s):

Computational Study ◽

Hydrogen Bonded

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Computational Study of Substituent Effects on the Interaction Energies of Hydrogen-Bonded Watson−Crick Cytosine:Guanine Base Pairs

Interaction Energies of Hydrogen-Bonded Formamide Dimer, Formamidine Dimer, and Selected DNA Base Pairs Obtained with Large Basis Sets of Atomic Orbitals

Substituent effects on the hydrogen-bonded complex of aniline–H2O: a computational study

Accurate Interaction Energies of Hydrogen-Bonded Nucleic Acid Base Pairs

Systematic computational study of the geometrical dependence of deuterium quadrupole interaction parameters in an O–2H⋯OC hydrogen bonded system

Computational Study on the Unconventional Hydrogen-Bonded F-H···C Systems

Substituent effects on acidity of aryl-substituted fluoroalkanes: a computational study

- Ultrafast Vibrational Dynamics of Hydrogen-Bonded Dimers and Base Pairs

RETRACTED: Computational study of hydrogen-bonded complexes of the pyrimidinic bases of RNA and l-leucine

A computational study of hydrogen-bonded X3CH⋯YZ (X = Cl, F, NC; YZ = FLi, BF, CO, N2) complexes

A computational study of hydrogen-bonded X3CH⋯YZ (X = Cl, F, NC; YZ = FLi, BF, CO, N2) complexes