UB Paderborn / Katalog / Suche / in CDI

Theoretical investigation of the molecular structure and spectroscopic properties of oxicams

Journal of structural chemistry, 2017-03, Vol.58 (2), p.261-267

2017

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Synthesis of TiO2 nanorods in the presence of linear DNA plasmid pBR322 by a sol–gel process

Nanotechnology, 2005-08, Vol.16, p.1272

2005

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Crystallographic study and molecular orbital calculations of thiadiazole derivatives. Part 3: 3,4-diphenyl-1,2,5-thiadiazoline 1,1-dioxide, 3,4-diphenyl-1,2,5-thiadiazolidine 1,1-dioxide and 4-ethoxy-5-methyl-3,4-diphenyl-1,2,5-thiadiazoline 1,1-dioxide

Journal of molecular structure, 2001-10, Vol.597 (1-3), p.163-175

2001

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Crystallographic study and molecular orbital calculations of thiadiazole derivatives. 2. 3,4-diphenyl-1,2,5-thiadiazole 1-monoxide

Journal of molecular structure, 2002-02, Vol.604 (2), p.195-203

2002

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A theoretical quantum study of the intramolecular interactions and chemical reactivity of polymorphs A and B of famotidine in the gas, DMSO, and aqueous phases

Computational and theoretical chemistry, 2016-01, Vol.1075, p.54-62

2016

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Band structure, optical properties and infrared spectrum of glycine–sodium nitrate crystal

Journal of molecular structure, 2008-03, Vol.875 (1), p.295-301

2008

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Molecular modeling of the melting temperature of a tuberculosis DNA nanobiosensor

New biotechnology, 2009-09, Vol.25, p.S30-S30

2009

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Study of low band gap DSSCs based on bridging bithiophene and biphenyl: theoretical investigation

Journal of the Iranian Chemical Society, 2016, Vol.13 (1), p.37-44

2016

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Influence of the basis set and correlation method on the calculation of molecular structures: thiadiazoles revisited

Journal of molecular structure. Theochem, 2001-07, Vol.548 (1), p.153-163

2001

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Computational simulation of the molecular structure and properties of heterocyclic organic compounds with possible corrosion inhibition properties

Journal of molecular structure. Theochem, 2005-01, Vol.713 (1), p.65-70

2005

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Theoretical study of the molecular properties and chemical reactivity of (+)-catechin and (−)-epicatechin related to their antioxidant ability

Journal of molecular structure. Theochem, 2006-03, Vol.761 (1), p.97-106

2006

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Hartree–Fock (HF) and local and nonlocal density functional (DFT) calculations of the molecular structure of isomeric thiadiazolidines

Journal of molecular structure. Theochem, 2001-03, Vol.538 (1), p.201-210

2001

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CHIH-DFT study of the electronic properties and chemical reactivity of quercetin

Journal of molecular structure. Theochem, 2005-03, Vol.716 (1), p.67-72

2005

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G3-B3 calculation of the molecular structure and descriptors of isomeric thiadiazoles

Journal of molecular structure. Theochem, 2005-07, Vol.725 (1), p.27-30

Glossman-Mitnik, Daniel

2005

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CHIH-DFT theoretical study of isomeric thiatriazoles and their potential activity as corrosion inhibitors

Journal of molecular structure. Theochem, 2005-03, Vol.716 (1), p.61-65

2005

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A theoretical study on the aromaticity of thiadiazoles and related compounds

Journal of molecular structure. Theochem, 2001-08, Vol.549 (3), p.285-288

Glossman-Mitnik, Daniel

2001

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Influence of the basis set and correlation method on the calculation of the dipole moments of isomeric thiadiazoles

Journal of molecular structure. Theochem, 2003-09, Vol.634 (1), p.77-81

Glossman-Mitnik, Daniel

2003

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Synthesis of TiO 2 nanorods in the presence of linear DNA plasmid pBR322 by a sol–gel process

Nanotechnology, 2005-08, Vol.16 (8), p.1272-1277

2005

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CHIH-DFT determination of the reactivity sites of the antiparasitic drug megazol

Journal of molecular structure. Theochem, 2005-05, Vol.723 (1), p.231-234

2005

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CHIH-DFT determination of the electrical, optical, and magnetic properties and NICS aromaticity of megazol

Journal of molecular structure. Theochem, 2005-03, Vol.717 (1), p.1-3

2005

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CHIH-DFT determination of the molecular structure, infrared and ultraviolet spectra of the antiparasitic drug megazol

Journal of molecular structure. Theochem, 2004-07, Vol.681 (1), p.77-82

2004

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CHIH-DFT determination of the molecular structure, infrared and ultraviolet spectra of potentially organic corrosion inhibitors

Journal of molecular structure. Theochem, 2004-07, Vol.681 (1), p.83-88

2004

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An introductory study of the molecular structure and properties of oligothiadiazoles

Journal of molecular structure. Theochem, 2003-09, Vol.634 (1), p.67-76

2003

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Crystallographic study and molecular orbital calculations of thiadiazole derivatives. 1. Phenanthro[9,10- c]-1,2,5-thiadiazole 1,1-dioxide and acenaphtho[1,2- c]-1,2,5-thiadiazole 1,1-dioxide

Journal of molecular structure, 2001-05, Vol.562 (1), p.157-166

2001

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In Vitro Anticancer Screening, Molecular Docking and Antimicrobial Studies of Triazole-Based Nickel(II) Metal Complexes

Molecules (Basel, Switzerland), 2022-10, Vol.27 (19), p.6548

2022

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Theoretical investigation of the molecular structure and spectroscopic properties of oxicams

Synthesis of TiO2 nanorods in the presence of linear DNA plasmid pBR322 by a sol–gel process

Crystallographic study and molecular orbital calculations of thiadiazole derivatives. Part 3: 3,4-diphenyl-1,2,5-thiadiazoline 1,1-dioxide, 3,4-diphenyl-1,2,5-thiadiazolidine 1,1-dioxide and 4-ethoxy-5-methyl-3,4-diphenyl-1,2,5-thiadiazoline 1,1-dioxide

Crystallographic study and molecular orbital calculations of thiadiazole derivatives. 2. 3,4-diphenyl-1,2,5-thiadiazole 1-monoxide

A theoretical quantum study of the intramolecular interactions and chemical reactivity of polymorphs A and B of famotidine in the gas, DMSO, and aqueous phases

Band structure, optical properties and infrared spectrum of glycine–sodium nitrate crystal

Molecular modeling of the melting temperature of a tuberculosis DNA nanobiosensor

Study of low band gap DSSCs based on bridging bithiophene and biphenyl: theoretical investigation

Influence of the basis set and correlation method on the calculation of molecular structures: thiadiazoles revisited

Computational simulation of the molecular structure and properties of heterocyclic organic compounds with possible corrosion inhibition properties

Theoretical study of the molecular properties and chemical reactivity of (+)-catechin and (−)-epicatechin related to their antioxidant ability

Hartree–Fock (HF) and local and nonlocal density functional (DFT) calculations of the molecular structure of isomeric thiadiazolidines

CHIH-DFT study of the electronic properties and chemical reactivity of quercetin

G3-B3 calculation of the molecular structure and descriptors of isomeric thiadiazoles

CHIH-DFT theoretical study of isomeric thiatriazoles and their potential activity as corrosion inhibitors

A theoretical study on the aromaticity of thiadiazoles and related compounds

Influence of the basis set and correlation method on the calculation of the dipole moments of isomeric thiadiazoles

Synthesis of TiO 2 nanorods in the presence of linear DNA plasmid pBR322 by a sol–gel process

CHIH-DFT determination of the reactivity sites of the antiparasitic drug megazol

CHIH-DFT determination of the electrical, optical, and magnetic properties and NICS aromaticity of megazol

CHIH-DFT determination of the molecular structure, infrared and ultraviolet spectra of the antiparasitic drug megazol

CHIH-DFT determination of the molecular structure, infrared and ultraviolet spectra of potentially organic corrosion inhibitors

An introductory study of the molecular structure and properties of oligothiadiazoles

Crystallographic study and molecular orbital calculations of thiadiazole derivatives. 1. Phenanthro[9,10- c]-1,2,5-thiadiazole 1,1-dioxide and acenaphtho[1,2- c]-1,2,5-thiadiazole 1,1-dioxide

In Vitro Anticancer Screening, Molecular Docking and Antimicrobial Studies of Triazole-Based Nickel(II) Metal Complexes

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