Density functional theory study on the ionization potentials and electron affinities of thymine-formamide complexes

Haitao Sun; Ke Tang; Yanmin Li; Chunfang Su; Zhengyu Zhou; Zhizhong Wang

doi:10.1002/qua.21951

Density functional theory study on the ionization potentials and electron affinities of thymine-formamide complexes

International Journal of Quantum Chemistry ◽

10.1002/qua.21951 ◽

2009 ◽

Vol 109 (6) ◽

pp. 1410-1417 ◽

Cited By ~ 1

Author(s):

Haitao Sun ◽

Ke Tang ◽

Yanmin Li ◽

Chunfang Su ◽

Zhengyu Zhou ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Ionization Potentials ◽

Electron Affinities ◽

Density Functional Theory Study ◽

Functional Theory

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The density functional theory study on the ionization potentials and electron affinities of cytosine-formamide complexes

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024409030200 ◽

2009 ◽

Vol 83 (3) ◽

pp. 436-443

Author(s):

Chun-fang Su ◽

Yan-min Li ◽

Zheng-yu Zhou ◽

Xiang-xiang Wang ◽

Ke-sheng Ma

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Ionization Potentials ◽

Electron Affinities ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Density Functional Theory

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Ionization potentials, electron affinities, electronegativities, and hardnesses of fractional charged atoms from the density-functional theory

International Journal of Quantum Chemistry ◽

10.1002/qua.560400306 ◽

1991 ◽

Vol 40 (3) ◽

pp. 323-345 ◽

Cited By ~ 1

Author(s):

Yufei Guo ◽

M. A. Whitehead

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Ionization Potentials ◽

Electron Affinities ◽

Functional Theory ◽

The Density Functional Theory

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Ionization Potentials of Tantalum−Carbide Clusters: An Experimental and Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp054410r ◽

2005 ◽

Vol 109 (49) ◽

pp. 11180-11190 ◽

Cited By ~ 15

Author(s):

Viktoras Dryza ◽

M. A. Addicoat ◽

Jason R. Gascooke ◽

Mark A. Buntine ◽

Gregory F. Metha

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Tantalum Carbide ◽

Ionization Potentials ◽

Density Functional Theory Study ◽

Functional Theory

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High level of ab initio and hybrid density functional theory study of electron affinities for some multi-spin diatomic molecules

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(98)00196-1 ◽

1998 ◽

Vol 453 (1-3) ◽

pp. 149-152 ◽

Cited By ~ 13

Author(s):

Branko S Jursic

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Diatomic Molecules ◽

Hybrid Density Functional Theory ◽

Electron Affinities ◽

Density Functional Theory Study ◽

Functional Theory ◽

High Level ◽

Hybrid Density Functional

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Electronegativities, electron affinities, ionization potentials, and hardnesses of the elements within spin polarized density functional theory

Journal of the American Chemical Society ◽

10.1021/ja00325a003 ◽

1984 ◽

Vol 106 (13) ◽

pp. 3723-3727 ◽

Cited By ~ 81

Author(s):

Juvencio Robles ◽

Libero J. Bartolotti

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Ionization Potentials ◽

Electron Affinities ◽

Functional Theory ◽

Spin Polarized

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Localized Orbital Corrections for the Calculation of Ionization Potentials and Electron Affinities in Density Functional Theory

The Journal of Physical Chemistry B ◽

10.1021/jp0619888 ◽

2006 ◽

Vol 110 (38) ◽

pp. 18787-18802 ◽

Cited By ~ 26

Author(s):

Eric H. Knoll ◽

Richard A. Friesner

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Ionization Potentials ◽

Electron Affinities ◽

Functional Theory ◽

Localized Orbital

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Structures, Reductive Dechlorination, and Electron Affinities of Selected Polychlorinated Dibenzo-p-dioxins: Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp0736037 ◽

2007 ◽

Vol 111 (45) ◽

pp. 11638-11644 ◽

Cited By ~ 17

Author(s):

Ya-Ying Zhao ◽

Fu-Ming Tao ◽

Eddy Y. Zeng

Keyword(s):

Density Functional Theory ◽

Reductive Dechlorination ◽

Density Functional ◽

Electron Affinities ◽

Density Functional Theory Study ◽

Functional Theory

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Electron Affinities and Reductive Dechlorination of Toxic Polychlorinated Dibenzofurans: A Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp037620h ◽

2004 ◽

Vol 108 (16) ◽

pp. 3499-3508 ◽

Cited By ~ 34

Author(s):

Sundaram Arulmozhiraja ◽

Masatoshi Morita

Keyword(s):

Density Functional Theory ◽

Reductive Dechlorination ◽

Density Functional ◽

Polychlorinated Dibenzofurans ◽

Electron Affinities ◽

Density Functional Theory Study ◽

Functional Theory

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Benchmark study of ionization potentials and electron affinities of armchair single-walled carbon nanotubes using density functional theory

Journal of Physics Condensed Matter ◽

10.1088/1361-648x/aabd18 ◽

2018 ◽

Vol 30 (21) ◽

pp. 215501 ◽

Cited By ~ 4

Author(s):

Bin Zhou ◽

Zhubin Hu ◽

Yanrong Jiang ◽

Xiao He ◽

Zhenrong Sun ◽

...

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Ionization Potentials ◽

Electron Affinities ◽

Functional Theory ◽

Single Walled Carbon ◽

Benchmark Study ◽

Walled Carbon Nanotubes

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ChemInform Abstract: ELECTRONEGATIVITIES, ELECTRON AFFINITIES, IONIZATION POTENTIALS, AND HARDNESSES OF THE ELEMENTS WITHIN SPIN POLARIZED DENSITY FUNCTIONAL THEORY

Chemischer Informationsdienst ◽

10.1002/chin.198439001 ◽

1984 ◽

Vol 15 (39) ◽

Author(s):

J. ROBLES ◽

L. J. BARTOLOTTI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Ionization Potentials ◽

Electron Affinities ◽

Functional Theory ◽

Spin Polarized

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