Synthesis, spectroscopic characterisation, crystal and molecular structure of [ReOBr(quin-2-c)2] and [ReOCl(quin-2-c)2] complexes: DFT and TD-DFT calculations for [ReOBr(quin-2-c)2]

B. Machura; J. Kusz

doi:10.1016/j.poly.2007.09.010

Synthesis, spectroscopic characterisation, crystal and molecular structure of [ReOBr(quin-2-c)2] and [ReOCl(quin-2-c)2] complexes: DFT and TD-DFT calculations for [ReOBr(quin-2-c)2]

Polyhedron ◽

10.1016/j.poly.2007.09.010 ◽

2008 ◽

Vol 27 (1) ◽

pp. 187-195 ◽

Cited By ~ 15

Author(s):

B. Machura ◽

J. Kusz

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Crystal And Molecular Structure ◽

Td Dft ◽

Spectroscopic Characterisation

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The synthesis, spectroscopic characterisation, crystal and molecular structure of the [ReCl3(NO)(OPPh3)(pyz)] complex. DFT calculations for [ReCl3(NO)(OPPh3)(pyz)] and [ReCl3(NO)(OPPh3)(PPh3)]

Polyhedron ◽

10.1016/j.poly.2004.11.024 ◽

2005 ◽

Vol 24 (2) ◽

pp. 267-279 ◽

Cited By ~ 7

Author(s):

B. Machura ◽

M. Jaworska ◽

R. Kruszynski

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Crystal And Molecular Structure ◽

Spectroscopic Characterisation

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Synthesis, spectroscopic characterization, crystal and molecular structure of [ReOBr(hmquin-7-COOH)2] and [ReOCl(hmquin-7-COOH)2]·MeCN complexes. DFT and TD-DFT calculations for [ReOBr(hmquin-7-COOH)2]

Polyhedron ◽

10.1016/j.poly.2008.11.053 ◽

2009 ◽

Vol 28 (3) ◽

pp. 493-500 ◽

Cited By ~ 15

Author(s):

B. Machura ◽

J. Kusz ◽

D. Tabak ◽

R. Kruszynski

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Crystal And Molecular Structure ◽

Spectroscopic Characterization ◽

Td Dft

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Molecular structure, Normal Coordinate Analysis, harmonic vibrational frequencies, Natural Bond Orbital, TD-DFT calculations and biological activity analysis of antioxidant drug 7-hydroxycoumarin

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.09.041 ◽

2013 ◽

Vol 101 ◽

pp. 370-381 ◽

Cited By ~ 13

Author(s):

S. Sebastian ◽

S. Sylvestre ◽

D. Jayarajan ◽

M. Amalanathan ◽

K. Oudayakumar ◽

...

Keyword(s):

Molecular Structure ◽

Biological Activity ◽

Dft Calculations ◽

Natural Bond Orbital ◽

Activity Analysis ◽

Vibrational Frequencies ◽

Normal Coordinate Analysis ◽

Normal Coordinate ◽

Td Dft

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Synthesis, characterization crystal and molecular structure studies of 5-(3-Methylbenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one: Hirshfeld surface analysis and DFT calculations

Chemical Data Collections ◽

10.1016/j.cdc.2019.100292 ◽

2019 ◽

Vol 24 ◽

pp. 100292 ◽

Cited By ~ 1

Author(s):

S. Naveen ◽

Karthik Kumara ◽

Helmi M. Al-Maqtari ◽

M.V. Deepa Urs ◽

Joazaizulfazli Jamalis ◽

...

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Surface Analysis ◽

Crystal And Molecular Structure ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis

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Synthesis, spectroscopic characterization, crystal and molecular structure of [ReOX2(bopyH)(PPh3)] complexes: DFT calculations for [ReOCl2(bopyH)(PPh3)]

Polyhedron ◽

10.1016/j.poly.2007.12.019 ◽

2008 ◽

Vol 27 (4) ◽

pp. 1262-1269 ◽

Cited By ~ 7

Author(s):

B. Machura ◽

J. Miłek ◽

R. Kruszynski ◽

J. Kusz ◽

J. Mroziński

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Crystal And Molecular Structure ◽

Spectroscopic Characterization

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Crystal and molecular structure, conformational, vibrational properties and DFT calculations of melaminium bis (hydrogen oxalate)

Journal of Molecular Structure ◽

10.1016/j.molstruc.2014.02.065 ◽

2014 ◽

Vol 1067 ◽

pp. 14-26 ◽

Cited By ~ 6

Author(s):

V. Sangeetha ◽

M. Govindarajan ◽

N. Kanagathara ◽

S. Gunasekaran ◽

P.R. Rajakumar ◽

...

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Crystal And Molecular Structure ◽

Vibrational Properties

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Synthesis, Crystal and Molecular Structure Studies and DFT Calculations of Phenyl Quinoline-2-Carboxylate and 2-Methoxyphenyl Quinoline-2-Carboxylate; Two New Quinoline-2 Carboxylic Derivatives

Crystals ◽

10.3390/cryst5010100 ◽

2015 ◽

Vol 5 (1) ◽

pp. 100-115 ◽

Cited By ~ 5

Author(s):

Edakot Fazal ◽

Jerry Jasinski ◽

Brian Anderson ◽

Manpreet Kaur ◽

Subban Nagarajan ◽

...

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Crystal And Molecular Structure

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Crystal and Molecular Structure and DFT Calculations of the Steroidal Oxime 6E-Hydroximino-androst-4-ene-3,17-dione (C19H25NO3) a Molecule with Antiproliferative Activity

Journal of Chemical Crystallography ◽

10.1007/s10870-018-0747-x ◽

2018 ◽

Vol 49 (1) ◽

pp. 29-36

Author(s):

Rex A. Palmer ◽

David R. Lisgarten ◽

Jeremy K. Cockcroft ◽

John N. Lisgarten ◽

Rosemary Talbert ◽

...

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Antiproliferative Activity ◽

Crystal And Molecular Structure

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Crystal and molecular structure of 2-amino-5-chloropyridinium hydrogen selenate-its IR and Raman spectra, DFT calculations and physicochemical properties

Journal of Raman Spectroscopy ◽

10.1002/jrs.1925 ◽

2008 ◽

Vol 39 (7) ◽

pp. 863-872 ◽

Cited By ~ 17

Author(s):

J. Lorenc ◽

I. Bryndal ◽

M. Marchewka ◽

E. Kucharska ◽

T. Lis ◽

...

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Physicochemical Properties ◽

Raman Spectra ◽

Crystal And Molecular Structure ◽

Ir And Raman Spectra ◽

Ir And Raman

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A comparative study on cisplatin analogs containing 7-azaindole (7AIH) and its seven halogeno-derivatives: Vibrational spectra, DFT calculations and in vitro antiproliferative activity. Crystal and molecular structure of cis-[PtCl2(4Br7AIH)2]·DMF

Polyhedron ◽

10.1016/j.poly.2019.114136 ◽

2019 ◽

Vol 173 ◽

pp. 114136 ◽

Cited By ~ 3

Author(s):

Karolina Dysz ◽

Ksenia Szmigiel-Bakalarz ◽

Markus Nentwig ◽

Oliver Oeckler ◽

Magdalena Malik-Gajewska ◽

...

Keyword(s):

Molecular Structure ◽

Comparative Study ◽

Dft Calculations ◽

Vibrational Spectra ◽

Antiproliferative Activity ◽

Crystal And Molecular Structure

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