Isolation and characterization of conformational isomers ofN,N′-bis(3,5-dichlorosalicylidene)-2,2′-ethylenedianiline: crystal structure, photoluminescence, and density functional theory calculation

Kil Sik Min; Yoon Jae Kim; Hyun Jin Ko; Dae Hyun Kwak; Tae Wook Kim; Jong Won Shin; Bong Gon Kim

doi:10.1002/poc.3379

Isolation and characterization of conformational isomers ofN,N′-bis(3,5-dichlorosalicylidene)-2,2′-ethylenedianiline: crystal structure, photoluminescence, and density functional theory calculation

Journal of Physical Organic Chemistry ◽

10.1002/poc.3379 ◽

2014 ◽

Vol 27 (12) ◽

pp. 960-966 ◽

Cited By ~ 2

Author(s):

Kil Sik Min ◽

Yoon Jae Kim ◽

Hyun Jin Ko ◽

Dae Hyun Kwak ◽

Tae Wook Kim ◽

...

Keyword(s):

Crystal Structure ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Functional Theory ◽

Conformational Isomers ◽

Isolation And Characterization ◽

Theory Calculation

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Fluorescent difference between two rhodamine-PAHs polystyrene solid-phase sensors for Hg(II) detection based on crystal structure and density functional theory calculation

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2020.118277 ◽

2020 ◽

Vol 234 ◽

pp. 118277 ◽

Cited By ~ 1

Author(s):

Yi Li ◽

Jinen Xiong ◽

Shuang Li ◽

Xiangjun Wen ◽

Tao Yu ◽

...

Keyword(s):

Crystal Structure ◽

Density Functional Theory ◽

Density Functional ◽

Solid Phase ◽

Density Functional Theory Calculation ◽

Functional Theory ◽

Theory Calculation

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Physical, mechanical, thermodynamic and electronic characterization of Cu11In9 crystal using first-principles density functional theory calculation

Computational Materials Science ◽

10.1016/j.commatsci.2013.07.039 ◽

2014 ◽

Vol 81 ◽

pp. 146-157 ◽

Cited By ~ 14

Author(s):

Hsien-Chie Cheng ◽

Ching-Feng Yu ◽

Wen-Hwa Chen

Keyword(s):

Density Functional Theory ◽

First Principles ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Functional Theory ◽

Theory Calculation

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p -Toluate-bridged dinuclear Cu(II) complexes in combination with tridentate chelating ligand: Crystal structure, density functional theory calculation, DNA/protein binding and catecholase activity

Applied Organometallic Chemistry ◽

10.1002/aoc.4506 ◽

2018 ◽

Vol 32 (10) ◽

pp. e4506 ◽

Cited By ~ 7

Author(s):

Samar Dolai ◽

Kalipada Das ◽

Apurba Bhunia ◽

Valerio Bertolasi ◽

Subal Chandra Manna

Keyword(s):

Crystal Structure ◽

Density Functional Theory ◽

Protein Binding ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Functional Theory ◽

Chelating Ligand ◽

Catecholase Activity ◽

Structure Density ◽

Theory Calculation

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Oxalato-bridged oligonuclear complexes of cadmium(II)/lead(II) with bipyridine coligands: Synthesis, crystal structure, electronic spectra, density functional theory calculation and effect of organic compounds on the fluorescence property

Inorganica Chimica Acta ◽

10.1016/j.ica.2013.10.001 ◽

2014 ◽

Vol 409 ◽

pp. 528-537 ◽

Cited By ~ 5

Author(s):

Apurba Bhunia ◽

Ennio Zangrando ◽

Soumen Mistri ◽

Subal Chandra Manna

Keyword(s):

Crystal Structure ◽

Density Functional Theory ◽

Organic Compounds ◽

Electronic Spectra ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Fluorescence Property ◽

Functional Theory ◽

Theory Calculation

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Synthesis, crystal structure, antimicrobial screening and density functional theory calculation of nickel(II), cobalt(II) and zinc(II) mononuclear Schiff base complexes

Inorganica Chimica Acta ◽

10.1016/j.ica.2014.10.007 ◽

2015 ◽

Vol 425 ◽

pp. 211-220 ◽

Cited By ~ 25

Author(s):

Sandeepta Saha ◽

Ashok Sasmal ◽

Chirantan Roy Choudhury ◽

Guillaume Pilet ◽

Antonio Bauzá ◽

...

Keyword(s):

Crystal Structure ◽

Density Functional Theory ◽

Schiff Base ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Schiff Base Complexes ◽

Functional Theory ◽

Antimicrobial Screening ◽

Theory Calculation

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Corrosion-induced microstructure degradation of copper in sulfide-containing simulated anoxic groundwater studied by synchrotron high-energy X-ray diffraction and ab-initio density functional theory calculation

Corrosion Science ◽

10.1016/j.corsci.2021.109390 ◽

2021 ◽

Vol 184 ◽

pp. 109390

Author(s):

Fan Zhang ◽

Cem Örnek ◽

Min Liu ◽

Timo Müller ◽

Ulrich Lienert ◽

...

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Density Functional Theory Calculation ◽

High Energy ◽

X Ray Diffraction ◽

Functional Theory ◽

X Ray ◽

Theory Calculation

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Ordered boron phosphorus codoped graphene realizing widely tunable quasi Dirac-cone gap

Journal of Materials Chemistry C ◽

10.1039/d0tc04998k ◽

2021 ◽

Vol 9 (12) ◽

pp. 4316-4321

Author(s):

L.-B. Meng ◽

S. Ni ◽

Z. M. Zhang ◽

S. K. He ◽

W. M. Zhou

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Dirac Cone ◽

Functional Theory ◽

Theory Calculation

Density functional theory calculation predicts a novel ordered boron phosphorus codoped graphene realizing a widely tunable Dirac-cone gap.

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Excited state structural dynamics and Herzberg–Teller coupling of tetraphenylporphine explored via resonance Raman spectroscopy and density functional theory calculation

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2009.10.054 ◽

2010 ◽

Vol 75 (5) ◽

pp. 1381-1387 ◽

Cited By ~ 6

Author(s):

Jun Xu ◽

Junmin Wan ◽

Yanying Zhao ◽

Miaoqiang Lv ◽

Xuming Zheng ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Excited State ◽

Structural Dynamics ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

Functional Theory ◽

Theory Calculation

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Catalytic activity of V2CO2 MXene supported transition metal single atoms for oxygen reduction and hydrogen oxidation reactions: A density functional theory calculation study

Chinese Journal of Catalysis ◽

10.1016/s1872-2067(21)63823-8 ◽

2021 ◽

Vol 42 (10) ◽

pp. 1659-1666

Author(s):

Zhongjing Deng ◽

Xingqun Zheng ◽

Mingming Deng ◽

Li Li ◽

Li Jing ◽

...

Keyword(s):

Density Functional Theory ◽

Catalytic Activity ◽

Transition Metal ◽

Density Functional ◽

Hydrogen Oxidation ◽

Density Functional Theory Calculation ◽

Oxidation Reactions ◽

Functional Theory ◽

Single Atoms ◽

Theory Calculation

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Ligand effects on surface oxide at RhPd(100) alloy surfaces: A density functional theory calculation study

Surface Science ◽

10.1016/j.susc.2021.121958 ◽

2021 ◽

pp. 121958

Author(s):

Naoki Shirahata ◽

Ryo Toyoshima ◽

Masaaki Yoshida ◽

Kohei Ueda ◽

Kazuhiko Mase ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Surface Oxide ◽

Functional Theory ◽

Ligand Effects ◽

Theory Calculation

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