A Density Functional Study of EPR Parameters for Vanadyl Complexes Containing Schiff Base Ligands

Markéta L. Munzarová; Martin Kaupp

doi:10.1021/jp015506y

A Density Functional Study of EPR Parameters for Vanadyl Complexes Containing Schiff Base Ligands

The Journal of Physical Chemistry B ◽

10.1021/jp015506y ◽

2001 ◽

Vol 105 (50) ◽

pp. 12644-12652 ◽

Cited By ~ 43

Author(s):

Markéta L. Munzarová ◽

Martin Kaupp

Keyword(s):

Schiff Base ◽

Density Functional ◽

Functional Study ◽

Schiff Base Ligands ◽

Density Functional Study ◽

Vanadyl Complexes ◽

Epr Parameters

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Copper(II) and Nickel(II) Complexes of Tridentate Hydrazide and Schiff Base Ligands Containing Phenyl and Naphthalyl Groups: Synthesis, Structural, Molecular Docking and Density Functional Study

Journal of Inorganic and Organometallic Polymers and Materials ◽

10.1007/s10904-020-01610-w ◽

2020 ◽

Vol 30 (11) ◽

pp. 4426-4440 ◽

Cited By ~ 2

Author(s):

N. Noorussabah ◽

Mukesh Choudhary ◽

Neeladri Das ◽

Bharti Mohan ◽

Khushwant Singh ◽

...

Keyword(s):

Schiff Base ◽

Molecular Docking ◽

Density Functional ◽

Functional Study ◽

Schiff Base Ligands ◽

Density Functional Study

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Protein−Cofactor Interactions and EPR Parameters for the QHQuinone Binding Site of Quinol Oxidase. A Density Functional Study

Journal of the American Chemical Society ◽

10.1021/ja053988b ◽

2006 ◽

Vol 128 (17) ◽

pp. 5659-5671 ◽

Cited By ~ 22

Author(s):

Sylwia Kacprzak ◽

Martin Kaupp ◽

Fraser MacMillan

Keyword(s):

Binding Site ◽

Density Functional ◽

Functional Study ◽

Quinol Oxidase ◽

Density Functional Study ◽

Epr Parameters

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Density Functional Study of EPR Parameters and Spin-Density Distribution of Azurin and Other Blue Copper Proteins

The Journal of Physical Chemistry B ◽

10.1021/jp071745v ◽

2007 ◽

Vol 111 (28) ◽

pp. 8290-8304 ◽

Cited By ~ 45

Author(s):

Christian Remenyi ◽

Roman Reviakine ◽

Martin Kaupp

Keyword(s):

Density Distribution ◽

Spin Density ◽

Density Functional ◽

Spin Density Distribution ◽

Functional Study ◽

Copper Proteins ◽

Blue Copper Proteins ◽

Blue Copper ◽

Density Functional Study ◽

Epr Parameters

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Comparative Study of Molecular Docking, Structural, Electronic, Vibrational Spectra and Fukui Function Studies of Thiadiazole Containing Schiff Base – A Complete Density Functional Study

Polycyclic Aromatic Compounds ◽

10.1080/10406638.2020.1712440 ◽

2020 ◽

pp. 1-27

Author(s):

Anoop Kumar Pandey ◽

Vikas Baboo ◽

Vijay Narayan Mishra ◽

V. K. Singh ◽

Apoorva Dwivedi

Keyword(s):

Schiff Base ◽

Molecular Docking ◽

Comparative Study ◽

Vibrational Spectra ◽

Density Functional ◽

Fukui Function ◽

Functional Study ◽

Density Functional Study

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Role of Isomerization Barriers in the pKaControl of the Retinal Schiff Base: A Density Functional Study

The Journal of Physical Chemistry B ◽

10.1021/jp982625d ◽

1999 ◽

Vol 103 (21) ◽

pp. 4518-4527 ◽

Cited By ~ 37

Author(s):

Emadeddin Tajkhorshid ◽

Béla Paizs ◽

Sándor Suhai

Keyword(s):

Schiff Base ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Synthesis, characterization, density functional study and antimicrobial evaluation of a series of bischelated complexes with a dithiocarbazate Schiff base ligand

Arabian Journal of Chemistry ◽

10.1016/j.arabjc.2016.07.019 ◽

2017 ◽

Vol 10 (2) ◽

pp. 172-184 ◽

Cited By ~ 15

Author(s):

E. Zangrando ◽

M.S. Begum ◽

M.C. Sheikh ◽

R. Miyatake ◽

M.M. Hossain ◽

...

Keyword(s):

Schiff Base ◽

Schiff Base Ligand ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Antimicrobial Evaluation

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Conformational Effects on the Proton Affinity of the Schiff Base in Bacteriorhodopsin: A Density Functional Study

The Journal of Physical Chemistry B ◽

10.1021/jp971283t ◽

1997 ◽

Vol 101 (40) ◽

pp. 8021-8028 ◽

Cited By ~ 36

Author(s):

Emadeddin Tajkhorshid ◽

Béla Paizs ◽

Sándor Suhai

Keyword(s):

Schiff Base ◽

Proton Affinity ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Conformational Effects

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Synthesis, characterization, and density functional study of some manganese(III) Schiff-base complexes

Journal of Coordination Chemistry ◽

10.1080/00958972.2012.665448 ◽

2012 ◽

Vol 65 (6) ◽

pp. 980-993 ◽

Cited By ~ 4

Author(s):

Susobhan Biswas ◽

Tapas Kar ◽

Saikat Sarkar ◽

Kamalendu Dey

Keyword(s):

Schiff Base ◽

Density Functional ◽

Schiff Base Complexes ◽

Functional Study ◽

Density Functional Study

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One Ferromagnetic and Two Antiferromagnetic Dinuclear Nickel(II) Complexes Derived from a Tridentate N,N,O-Donor Schiff Base Ligand: A Density Functional Study of Magnetic Coupling

European Journal of Inorganic Chemistry ◽

10.1002/ejic.201200028 ◽

2012 ◽

Vol 2012 (17) ◽

pp. 2916-2927 ◽

Cited By ~ 43

Author(s):

Rituparna Biswas ◽

Sanjib Giri ◽

Shyamal K. Saha ◽

Ashutosh Ghosh

Keyword(s):

Schiff Base ◽

Schiff Base Ligand ◽

Density Functional ◽

Magnetic Coupling ◽

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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