Density Functional Study of Adenine Tetrads with N6−H6···N3 Hydrogen Bonds

Michael Meyer; Jürgen Sühnel

doi:10.1021/jp710242k

Density Functional Study of Adenine Tetrads with N6−H6···N3 Hydrogen Bonds

The Journal of Physical Chemistry A ◽

10.1021/jp710242k ◽

2008 ◽

Vol 112 (18) ◽

pp. 4336-4341 ◽

Cited By ~ 12

Author(s):

Michael Meyer ◽

Jürgen Sühnel

Keyword(s):

Hydrogen Bonds ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of the Proton Transfer Effect on Vibrations of Strong (Short) Intermolecular O−H···N/O−···H−N+Hydrogen Bonds in Aprotic Solvents

The Journal of Physical Chemistry A ◽

10.1021/jp911694r ◽

2010 ◽

Vol 114 (6) ◽

pp. 2393-2399 ◽

Cited By ~ 39

Author(s):

Shushu Kong ◽

Ilja G. Shenderovich ◽

Mikhail V. Vener

Keyword(s):

Hydrogen Bonds ◽

Proton Transfer ◽

Density Functional ◽

Transfer Effect ◽

Functional Study ◽

Aprotic Solvents ◽

Density Functional Study

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Pentachlorocyclopropane/Base Complexes: Matrix Isolation Infrared Spectroscopic and Density Functional Study of C−H- - -N Hydrogen Bonds

The Journal of Physical Chemistry A ◽

10.1021/jp0581781 ◽

2005 ◽

Vol 109 (37) ◽

pp. 8280-8289 ◽

Cited By ~ 8

Author(s):

Alexander B. Baker ◽

Cindy Samet ◽

Jonathan T. Lyon ◽

Lester Andrews

Keyword(s):

Hydrogen Bonds ◽

Density Functional ◽

Matrix Isolation ◽

Functional Study ◽

Density Functional Study ◽

Infrared Spectroscopic

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A Density-Functional Study of Hydrogen Bonds

NATO ASI Series - Proton Transfer in Hydrogen-Bonded Systems ◽

10.1007/978-1-4615-3444-0_28 ◽

1992 ◽

pp. 325-341 ◽

Cited By ~ 1

Author(s):

Michael Springborg

Keyword(s):

Hydrogen Bonds ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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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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