Electron Affinities, Ionization Energies, and Fragmentation Energies of FenClusters (n= 2−6):  A Density Functional Theory Study

Gennady L. Gutsev; Charles W. Bauschlicher

doi:10.1021/jp030288p

Electron Affinities, Ionization Energies, and Fragmentation Energies of FenClusters (n= 2−6): A Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp030288p ◽

2003 ◽

Vol 107 (36) ◽

pp. 7013-7023 ◽

Cited By ~ 130

Author(s):

Gennady L. Gutsev ◽

Charles W. Bauschlicher

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electron Affinities ◽

Density Functional Theory Study ◽

Functional Theory ◽

Ionization Energies

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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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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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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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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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Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions using Density Functional Theory

Electrochimica Acta ◽

10.1016/j.electacta.2010.01.091 ◽

2010 ◽

Vol 55 (11) ◽

pp. 3804-3811 ◽

Cited By ~ 41

Author(s):

Shyue Ping Ong ◽

Gerbrand Ceder

Keyword(s):

Density Functional Theory ◽

Ionic Liquids ◽

Gas Phase ◽

Density Functional ◽

Room Temperature ◽

Functional Group ◽

Room Temperature Ionic Liquids ◽

Electron Affinities ◽

Functional Theory ◽

Ionization Energies

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Density Functional Theory Studies on Ionization Energies, Electron Affinities, and Polarization Energies of Organic Semiconductors

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201704071 ◽

2017 ◽

Vol 33 (6) ◽

pp. 1171-1180 ◽

Cited By ~ 4

Author(s):

Zi-Han GUO ◽

◽

Zhu-Bin HU ◽

Zhen-Rong SUN ◽

Hai-Tao SUN

Keyword(s):

Density Functional Theory ◽

Organic Semiconductors ◽

Density Functional ◽

Electron Affinities ◽

Functional Theory ◽

Ionization Energies

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Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions Using Density Functional Theory

ECS Meeting Abstracts ◽

10.1149/ma2010-01/4/305 ◽

2010 ◽

Keyword(s):

Density Functional Theory ◽

Ionic Liquids ◽

Gas Phase ◽

Density Functional ◽

Room Temperature ◽

Functional Group ◽

Room Temperature Ionic Liquids ◽

Electron Affinities ◽

Functional Theory ◽

Ionization Energies

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Adiabatic Electron Affinities of Oligophenyls: Anion Photoelectron Spectroscopy and Density Functional Theory Study

Chemistry Letters ◽

10.1246/cl.2006.888 ◽

2006 ◽

Vol 35 (8) ◽

pp. 888-889 ◽

Cited By ~ 4

Author(s):

Tsuneyuki Nakamura ◽

Naoto Ando ◽

Yukino Matsumoto ◽

Shunsuke Furuse ◽

Masaaki Mitsui ◽

...

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Electron Affinities ◽

Density Functional Theory Study ◽

Functional Theory ◽

Anion Photoelectron Spectroscopy

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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