UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 113

Sortiert nach

Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of Calix [4]quinone: A DFT-D3 computation

Materials chemistry and physics, 2022-02, Vol.278, p.125555, Article 125555

2022

Volltextzugriff (PDF)

Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2022-01, Vol.264, p.120242, Article 120242

2022

Volltextzugriff (PDF)

Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Znn−1On clusters for glucose sensing application: A study on theoretical and experimental insights

Heliyon, 2022-12, Vol.8 (12), p.e12387-e12387, Article e12387

2022

Volltextzugriff (PDF)

DFT Investigation of a Charge-Transfer Complex Formation Between p-Phenylenediamine and 3,5-Dinitrosalicylic Acid

Journal of structural chemistry, 2019-12, Vol.60 (12), p.1906-1916

2019

Volltextzugriff (PDF)

β-Cyclodextrin Interaction with Edaravone: Molecular Modeling Study

Advances in Quantum Chemistry, 2014, Vol.68, p.269-278

2014

Volltextzugriff (PDF)

Molecular Modeling Study of Neutral and Cationic Species of Ortho-Anisidine by β-Cyclodextrin

Advances in Quantum Chemistry, 2014, Vol.68, p.279-291

2014

Volltextzugriff (PDF)

Revealing the effect of Co/Cu (d7/d9) cationic doping on an electronic acceptor ZnO nanocage surface for the adsorption of citric acid, vinyl alcohol, and sulfamethoxazole ligands: DFT-D3, QTAIM, IGM-NCI, and MD analysis

Materials chemistry and physics, 2023-11, Vol.309, p.128364, Article 128364

2023

Volltextzugriff (PDF)

In silico exploration of O-H…X2+ (X = Cu, Ag, Hg) interaction, targeted adsorption zone, charge density iso-surface, O-H proton analysis and topographic parameters theory for calix[6]arene and calix[8]arene as model

Journal of molecular liquids, 2021-07, Vol.334, p.116127, Article 116127

2021

Volltextzugriff (PDF)

Synthesis of ultramicroporous zeolitic imidazolate framework ZIF-8 via solid state method using a minimum amount of deionized water for high greenhouse gas adsorption: A computational modeling

Journal of environmental chemical engineering, 2024-04, Vol.12 (2), p.112086, Article 112086

2024

Volltextzugriff (PDF)

Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Zn n-1 O n clusters for glucose sensing application: A study on theoretical and experimental insights

Heliyon, 2022-12, Vol.8 (12), p.e12387

2022

Volltextzugriff (PDF)

The efficiency of natural plant extracts in improving storage stability, antioxidant activity, sensory evaluation, and physicochemical properties of date juice-based energy drink

Notulae botanicae Horti agrobotanici Cluj-Napoca, 2023-01, Vol.51 (2), p.13107

2023

Volltextzugriff (PDF)

Simulation of column efficiency in temperature programmed gas-liquid chromatography

Chromatographia, 1995-07, Vol.41 (1-2), p.37-42

1995

Volltextzugriff (PDF)

Screening for differential gene expression in Atropa belladonna leafy gall induced following Rhodococcus fascians infection

European journal of plant pathology, 2003-05, Vol.109 (4), p.327-330

2003

Volltextzugriff (PDF)

Simulation of column efficiency in temperature programmed gas-liquid chromatography

Chromatographia, 1995-09, Vol.41 (5-6), p.37-42

1995

Volltextzugriff (PDF)

MOFs industrialization: a complete assessment of production costs

Faraday discussions, 2021, Vol.231, p.326-341

2021

Volltextzugriff (PDF)

Enhancement of Ethane Selectivity in Ethane–Ethylene Mixtures by Perfluoro Groups in Zr-Based Metal-Organic Frameworks

ACS applied materials & interfaces, 2019-07, Vol.11 (30), p.27410-27421

2019

Volltextzugriff (PDF)

Targeting the Senescence-Overriding Cooperative Activity of Structurally Unrelated H3K9 Demethylases in Melanoma

Cancer cell, 2018-02, Vol.33 (2), p.322-336.e8

2018

Volltextzugriff (PDF)

Streamflow classification by employing various machine learning models for peninsular Malaysia

Scientific reports, 2023-09, Vol.13 (1), p.14574-14574, Article 14574

2023

Volltextzugriff (PDF)

Linear stability of Taylor–Couette flow of shear-thinning fluids: modal and non-modal approaches

Journal of fluid mechanics, 2015-08, Vol.776, p.354-389

2015

Volltextzugriff (PDF)

Direct accessibility of mixed-metal (III/II) acid sites through the rational synthesis of porous metal carboxylates

Chemical communications (Cambridge, England), 2015-01, Vol.51 (50), p.10194-10197

2015

Volltextzugriff (PDF)

Recurrent inactivating RASA2 mutations in melanoma

Nature genetics, 2015-12, Vol.47 (12), p.1408

2015

Volltextzugriff (PDF)

Consolidating biallelic SDHD variants as a cause of mitochondrial complex II deficiency

European journal of human genetics : EJHG, 2021-10, Vol.29 (10), p.1570-1576

2021

Volltextzugriff (PDF)

MOFs with Open Metal(III) Sites for the Environmental Capture of Polar Volatile Organic Compounds

Angewandte Chemie (International ed.), 2023-02, Vol.62 (6), p.e202211583-n/a

International ed. in English, 2023

Volltextzugriff (PDF)

Adsorption of Small Molecules in the Porous Zirconium-Based Metal Organic Framework MIL-140A (Zr): A Joint Computational-Experimental Approach

Journal of physical chemistry. C, 2016-04, Vol.120 (13), p.7192-7200

2016

Volltextzugriff (PDF)

Tuning the breathing behaviour of MIL-53 by cation mixing

Chemical communications (Cambridge, England), 2012-01, Vol.48 (82), p.10237-10239

2012

Volltextzugriff (PDF)

1 – 25 von 113

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(97)
Mit Volltextzugriff
(100)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(37)
Technology
(17)
Chemistry
(14)
Physical Sciences
(14)
Chemical Sciences
(12)
Life Sciences & Biomedicine
(11)
Humans
(10)
Materials Science
(9)
Materials Science, Multidisciplinary
(9)
Chemistry, Physical
(8)
Physics
(8)
Metal-Organic Frameworks
(7)
Science & Technology - Other Topics
(7)
Child
(5)
Exact Sciences And Technology
(5)
Male
(5)
Mechanics
(5)
Acetic Acid
(4)
Charge Transfer
(4)
Domaines Classiques De La Physique
(4)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of Calix [4]quinone: A DFT-D3 computation

Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations

Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Znn−1On clusters for glucose sensing application: A study on theoretical and experimental insights

DFT Investigation of a Charge-Transfer Complex Formation Between p-Phenylenediamine and 3,5-Dinitrosalicylic Acid

β-Cyclodextrin Interaction with Edaravone: Molecular Modeling Study

Molecular Modeling Study of Neutral and Cationic Species of Ortho-Anisidine by β-Cyclodextrin

Revealing the effect of Co/Cu (d7/d9) cationic doping on an electronic acceptor ZnO nanocage surface for the adsorption of citric acid, vinyl alcohol, and sulfamethoxazole ligands: DFT-D3, QTAIM, IGM-NCI, and MD analysis

In silico exploration of O-H…X2+ (X = Cu, Ag, Hg) interaction, targeted adsorption zone, charge density iso-surface, O-H proton analysis and topographic parameters theory for calix[6]arene and calix[8]arene as model

Synthesis of ultramicroporous zeolitic imidazolate framework ZIF-8 via solid state method using a minimum amount of deionized water for high greenhouse gas adsorption: A computational modeling

Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Zn n-1 O n clusters for glucose sensing application: A study on theoretical and experimental insights

The efficiency of natural plant extracts in improving storage stability, antioxidant activity, sensory evaluation, and physicochemical properties of date juice-based energy drink

Simulation of column efficiency in temperature programmed gas-liquid chromatography

Screening for differential gene expression in Atropa belladonna leafy gall induced following Rhodococcus fascians infection

Simulation of column efficiency in temperature programmed gas-liquid chromatography

MOFs industrialization: a complete assessment of production costs

Enhancement of Ethane Selectivity in Ethane–Ethylene Mixtures by Perfluoro Groups in Zr-Based Metal-Organic Frameworks

Targeting the Senescence-Overriding Cooperative Activity of Structurally Unrelated H3K9 Demethylases in Melanoma

Streamflow classification by employing various machine learning models for peninsular Malaysia

Linear stability of Taylor–Couette flow of shear-thinning fluids: modal and non-modal approaches

Direct accessibility of mixed-metal (III/II) acid sites through the rational synthesis of porous metal carboxylates

Recurrent inactivating RASA2 mutations in melanoma

Consolidating biallelic SDHD variants as a cause of mitochondrial complex II deficiency

MOFs with Open Metal(III) Sites for the Environmental Capture of Polar Volatile Organic Compounds

Adsorption of Small Molecules in the Porous Zirconium-Based Metal Organic Framework MIL-140A (Zr): A Joint Computational-Experimental Approach

Tuning the breathing behaviour of MIL-53 by cation mixing

Suchergebnisse filtern