Density functional study of protonation of deoxynucleosides: Electrophilic active sites and proton affinities

Fei Xia; Hujun Xie; Zexing Cao

doi:10.1002/qua.21389

Density functional study of protonation of deoxynucleosides: Electrophilic active sites and proton affinities

International Journal of Quantum Chemistry ◽

10.1002/qua.21389 ◽

2007 ◽

Vol 108 (1) ◽

pp. 57-65 ◽

Cited By ~ 8

Author(s):

Fei Xia ◽

Hujun Xie ◽

Zexing Cao

Keyword(s):

Active Sites ◽

Density Functional ◽

Functional Study ◽

Proton Affinities ◽

Density Functional Study

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Calculation of proton affinities and absolute gas basicities of X3 group VI triatomics: a density functional study

Journal of the Chemical Society Faraday Transactions ◽

10.1039/ft9969202681 ◽

1996 ◽

Vol 92 (15) ◽

pp. 2681 ◽

Cited By ~ 7

Author(s):

Marirosa Toscano ◽

Nino Russo ◽

Jaime Rubio

Keyword(s):

Density Functional ◽

Functional Study ◽

Proton Affinities ◽

Group Vi ◽

Density Functional Study

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A density functional study of the hydration energies and proton affinities of some scandium compounds with hydrogen and oxygen

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00563-2 ◽

2001 ◽

Vol 571 (1-3) ◽

pp. 171-181 ◽

Cited By ~ 3

Author(s):

Jingzhong Guo ◽

John M Goodings

Keyword(s):

Density Functional ◽

Functional Study ◽

Proton Affinities ◽

Density Functional Study ◽

Hydration Energies

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Density Functional Study on UV/VIS Spectra of Copper-Protein Active Sites: The Effect of Mutations

Chemistry & Biodiversity ◽

10.1002/cbdv.201200058 ◽

2012 ◽

Vol 9 (9) ◽

pp. 1728-1738

Author(s):

Marcel Swart ◽

Mikael P. Johansson

Keyword(s):

Active Sites ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Copper Protein ◽

Protein Active Sites

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Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

Journal of Computational Chemistry ◽

10.1002/jcc.5 ◽

1996 ◽

Vol 17 (16) ◽

pp. 1848-1856 ◽

Cited By ~ 2

Author(s):

Guntram Rauhut

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of the First-Row Transition-Metal Monoxides*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1996.1.1.039 ◽

1996 ◽

Vol 1 (1) ◽

pp. 39-49

Author(s):

J. Piechota ◽

M. Suffczyński

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Predicted structures and electronic properties of gallium-indium clusters GamInn–m (n = 4, 6, 8 and m < n): A density functional study

Журнал структурной химии ◽

10.26902/jsc20180501 ◽

2018 ◽

Vol 59 (5) ◽

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: A comparative density functional study

The Journal of Chemical Physics ◽

10.1063/1.2831583 ◽

2008 ◽

Vol 128 (9) ◽

pp. 094307 ◽

Cited By ~ 51

Author(s):

Ellie L. Uzunova ◽

Hans Mikosch ◽

Georgi St. Nikolov

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

3D Elements

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Density functional study of non-isothermal hard sphere fluids

Molecular Physics ◽

10.1080/00268976.2021.1875077 ◽

2021 ◽

pp. e1875077

Author(s):

Wenhan Jia ◽

Isamu Kusaka

Keyword(s):

Hard Sphere ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Charge transport properties in functionalized triphenylene and coronene derivatives: a density functional study using different functionals

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2020.1870201 ◽

2021 ◽

pp. 1-15

Author(s):

Ziran Chen ◽

Yujin Zhang ◽

Yuan Li ◽

Wenhao Yu

Keyword(s):

Charge Transport ◽

Transport Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of Metal-to-Ligand Charge Transfer and Hole-Hopping in Ruthenium(II) Complexes with Alkyl-Substituted Bipyridine Ligands

ACS Omega ◽

10.1021/acsomega.0c01199 ◽

2020 ◽

Author(s):

Salmahaminati ◽

Minori Abe ◽

Indra Purnama ◽

Jacob Yan Mulyana ◽

Masahiko Hada

Keyword(s):

Charge Transfer ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Ligand Charge Transfer

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