Experimental and Density-Functional-Theory (DFT) Studies on the DNA-Binding Trend and Spectral Properties of the Ruthenium Complexes [Ru(4,7-dmp)(bdip)]2+ and [Ru(bpy)2(bdip)]2+ (4,7-dmp=4,7-Dimethyl-1,10-phenanthroline, bdip=2-(1,3-Benzodioxol-4-yl)-1H-imidazo[4,5-f] [1,10]phenanthroline, bpy=2,2′-bipyridine)

Li-Feng Tan; Sheng Zhang; Hui Chao; Kang-Cheng Zheng; Fang Wang; Yue Xiao; Liang-Nian Ji

doi:10.1002/hlca.200790188

Experimental and Density-Functional-Theory (DFT) Studies on the DNA-Binding Trend and Spectral Properties of the Ruthenium Complexes [Ru(4,7-dmp)(bdip)]2+ and [Ru(bpy)2(bdip)]2+ (4,7-dmp=4,7-Dimethyl-1,10-phenanthroline, bdip=2-(1,3-Benzodioxol-4-yl)-1H-imidazo[4,5-f] [1,10]phenanthroline, bpy=2,2′-bipyridine)

Helvetica Chimica Acta ◽

10.1002/hlca.200790188 ◽

2007 ◽

Vol 90 (9) ◽

pp. 1786-1801 ◽

Cited By ~ 5

Author(s):

Li-Feng Tan ◽

Sheng Zhang ◽

Hui Chao ◽

Kang-Cheng Zheng ◽

Fang Wang ◽

...

Keyword(s):

Density Functional Theory ◽

Dna Binding ◽

Spectral Properties ◽

Density Functional ◽

Ruthenium Complexes ◽

Dft Studies ◽

Functional Theory

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Experimental and density functional theory (DFT) studies on the DNA-binding trend and spectral properties of two new Ru(II) complexes: [Ru(L)2(mip)](ClO4)2 (L=2,9-dmp and 4,7-dmp)

Journal of Organometallic Chemistry ◽

10.1016/j.jorganchem.2008.07.033 ◽

2008 ◽

Vol 693 (21-22) ◽

pp. 3387-3395 ◽

Cited By ~ 15

Author(s):

Lifeng Tan ◽

Sheng Zhang ◽

Xiaohua Liu ◽

Yuandao Chen ◽

Xuewen Liu

Keyword(s):

Density Functional Theory ◽

Dna Binding ◽

Spectral Properties ◽

Density Functional ◽

Dft Studies ◽

Functional Theory

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Density Functional Theory/Time-dependent DFT Studies on the Structures, Trend in DNA-binding Affinities, and Spectral Properties of Complexes [Ru(bpy)2(p-R-pip)]2+(R = −OH, −CH3, −H, −NO2)

The Journal of Physical Chemistry A ◽

10.1021/jp0564389 ◽

2006 ◽

Vol 110 (26) ◽

pp. 8174-8180 ◽

Cited By ~ 43

Author(s):

Jun Li ◽

Lian-Cai Xu ◽

Jin-Can Chen ◽

Kang-Cheng Zheng ◽

Liang-Nian Ji

Keyword(s):

Density Functional Theory ◽

Dna Binding ◽

Spectral Properties ◽

Density Functional ◽

Time Dependent ◽

Binding Affinities ◽

Dft Studies ◽

Functional Theory

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Unraveling the effects of potassium incorporation routes and positions on toluene oxidation over α-MnO2 nanorods: Based on experimental and density functional theory (DFT) studies

Journal of Colloid and Interface Science ◽

10.1016/j.jcis.2021.04.053 ◽

2021 ◽

Author(s):

Xiaodong Zhang ◽

Yang Yang ◽

Qing Zhu ◽

Mudi Ma ◽

Zeyu Jiang ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Dft Studies ◽

Functional Theory ◽

Toluene Oxidation

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Experimental and density functional theory (DFT) studies on the interactions of Ru(ii) polypyridyl complexes with the RAN triplex poly(U)˙poly(A)*poly(U)

Metallomics ◽

10.1039/c4mt00175c ◽

2014 ◽

Vol 6 (11) ◽

pp. 2148-2156 ◽

Cited By ~ 10

Author(s):

Hong Zhang ◽

Xuewen Liu ◽

Xiaojun He ◽

Ying Liu ◽

Lifeng Tan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Dft Studies ◽

Functional Theory ◽

Polypyridyl Complexes

In this paper, the binding of two Ru(ii) complexes with poly(U)˙poly(A)*poly(U) was studied. Furthermore, the effect of factors on the binding difference is discussed.

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Theoretical studies on the electronic structures and spectral properties of a series of bis-cyclometalated iridium(III) complexes using density functional theory

Journal of Luminescence ◽

10.1016/j.jlumin.2013.02.011 ◽

2013 ◽

Vol 138 ◽

pp. 223-228 ◽

Cited By ~ 20

Author(s):

Deming Han ◽

Gang Zhang ◽

Hongxing Cai ◽

Xihe Zhang ◽

Lihui Zhao

Keyword(s):

Density Functional Theory ◽

Electronic Structures ◽

Spectral Properties ◽

Density Functional ◽

Theoretical Studies ◽

Functional Theory

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Infrared multiple photon dissociation spectroscopy and density functional theory (DFT) studies of protonated permethylated β-cyclodextrin–water non-covalent complexes

Physical Chemistry Chemical Physics ◽

10.1039/c3cp54841d ◽

2014 ◽

Vol 16 (18) ◽

pp. 8376 ◽

Cited By ~ 13

Author(s):

Sung-Sik Lee ◽

Soojin Park ◽

Ju-Young Kim ◽

Hye-Rim Kim ◽

Sungyul Lee ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Dft Studies ◽

Functional Theory ◽

Infrared Multiple Photon Dissociation

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Ab Initio and Density Functional Theory (DFT) Studies of Dynamic NMR Shielding Tensors and Vibrational Frequencies of DNA/RNA and Cadmium Oxide (CdO) Nanoparticles Complexes in Human Cancer Cells

Journal of Nanomedicine & Biotherapeutic Discovery ◽

10.4172/2155-983x.1000e144 ◽

2016 ◽

Vol 06 (01) ◽

Cited By ~ 2

Author(s):

Heidari A

Keyword(s):

Density Functional Theory ◽

Cancer Cells ◽

Density Functional ◽

Human Cancer ◽

Cadmium Oxide ◽

Dynamic Nmr ◽

Dft Studies ◽

Functional Theory ◽

Human Cancer Cells ◽

Cdo Nanoparticles

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SYNTHESIS, ELECTRONIC AND SPECTRAL PROPERTIES OF NEW 1,3,4-THIADIAZOLE COMPOUNDS AND THE SPECTRAL ANALYSIS OF THEIR CONFORMERS USING DENSITY FUNCTIONAL THEORY

Química Nova ◽

10.21577/0100-4042.20170315 ◽

2018 ◽

Author(s):

Muhammet Çavuş ◽

Tuğba Çelik

Keyword(s):

Density Functional Theory ◽

Spectral Analysis ◽

Spectral Properties ◽

Density Functional ◽

Functional Theory

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Identifying the preferential pathways of CO2 capture and hydrogenation to methanol over Mn(I)-PNP catalyst: A computational study

Dalton Transactions ◽

10.1039/d1dt01208h ◽

2021 ◽

Author(s):

Shyama Charan Mandal ◽

Biswarup Pathak

Keyword(s):

Density Functional Theory ◽

Co2 Capture ◽

Density Functional ◽

Computational Study ◽

Co2 Hydrogenation ◽

Dft Studies ◽

Functional Theory ◽

Preferential Pathways

CO2 hydrogenation to CH3OH is a crucial conversion for several purposes. Density functional theory (DFT) studies have been performed to explore the mechanistic pathways of newly reported CO2 capture and...

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Density functional theory studies of transition metal carbides and nitrides as electrocatalysts

Chemical Society Reviews ◽

10.1039/d1cs00590a ◽

2021 ◽

Author(s):

Dong Tian ◽

Steven R. Denny ◽

Kongzhai Li ◽

Hua Wang ◽

Shyam Kattel ◽

...

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Density Functional ◽

Dft Studies ◽

Metal Carbides ◽

Functional Theory ◽

Future Outlook ◽

Transition Metal Carbides

This review summarizes density functional theory (DFT) studies of TMCs and TMNs as electrocatalysts. It provides atomistic details of HER, OER, ORR, N2RR and CO2RR and also presents a future outlook in designing TMCs and TMNs based electrocatalysts.

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