UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

A Theoretical Analysis of Interaction Energies and Intermolecular Interactions between Amphotericin B and Potential Bioconjugates Used in the Modification of Nanocarriers for Drug Delivery

Molecules (Basel, Switzerland), 2023-03, Vol.28 (6), p.2674

2023

Volltextzugriff (PDF)

Reaction Mechanism of the Isomerization of Monoterpene Epoxides with Fe3+ as Active Catalytic Specie: A Computational Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-05, Vol.124 (19), p.3761-3769

2020

Volltextzugriff (PDF)

Looking for the Azeotrope: A Computational Study of (Ethanol)6–Water, (Methanol)6–Water, (Ethanol)7, and (Methanol)7 Heptamers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-09, Vol.124 (35), p.7080-7087

2020

Volltextzugriff (PDF)

Study of the Mechanism of 7‐exo‐trig Cyclizations of Aryl, Vinyl, and Alkyl Radicals on Oxime Ethers

European journal of organic chemistry, 2024-02, Vol.27 (7), p.n/a

2024

Volltextzugriff (PDF)

Effect of Charge and Phosphine Ligands on the Electronic Structure of the Au8 Cluster

ACS omega, 2019-05, Vol.4 (5), p.9169-9180

2019

Volltextzugriff (PDF)

Experimental and theoretical study of the mechanism and rate constants of the sequential 5- exo-trig spirocyclization involving vinyl, aryl and N -alkoxyaminyl radicals

Organic & biomolecular chemistry, 2022-05, Vol.20 (20), p.4141-4154

2022

Volltextzugriff (PDF)

Thermodynamics of the Isomerization of Monoterpene Epoxides

ACS omega, 2021-12, Vol.6 (50), p.34206-34218

2021

Volltextzugriff (PDF)

Lupeol acetate and alpha-amyrin terpenes activity against 'Trypanosoma cruzi': Insights into toxicity and potential mechanisms of action

Tropical medicine and infectious disease, 2023-05, Vol.8 (5), p.1-18

2023

Volltextzugriff (PDF)

Structural and functional computational analysis of nicotine analogs as potential neuroprotective compounds in Parkinson disease

Computational biology and chemistry, 2020-06, Vol.86, p.107266, Article 107266

2020

Volltextzugriff (PDF)

An orbital and electron density analysis of weak interactions in ethanol-water, methanol-water, ethanol and methanol small clusters

The Journal of chemical physics, 2012-04, Vol.136 (14), p.144306-144306-8

2012

Volltextzugriff (PDF)

Effect of Charge and Phosphine Ligands on the Electronic Structure of the Au 8 Cluster

ACS omega, 2019-05, Vol.4 (5), p.9169-9180

2019

Volltextzugriff (PDF)

The dynamic behavior of a liquid ethanol―water mixture: a perspective from quantum chemical topology

PCCP. Physical chemistry chemical physics (Print), 2011-05, Vol.13 (17), p.7821-7833

2011

Volltextzugriff (PDF)

Reaction Mechanism of the Isomerization of Monoterpene Epoxides with Fe 3+ as Active Catalytic Specie: A Computational Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-05, Vol.124 (19), p.3761-3769

2020

Volltextzugriff (PDF)

Impact of the edge of boron-nitride dots on the adsorption of clothianidin and dinotefuran insecticides

Computational and theoretical chemistry, 2024-09, Vol.1239, p.114806, Article 114806

2024

Volltextzugriff (PDF)

Exploring the potential energy surface of nCO2 (n = 1–5) capture by imidazole-and fluorine-based ionic liquids: A DFT study

Journal of molecular liquids, 2022-06, Vol.356, p.119022, Article 119022

2022

Volltextzugriff (PDF)

Caracterización computacional de ligandos orgánicos derivados de ácido fumárico para la adsorción selectiva de mercurio inorgánico

Informacion Tecnologica, 2020-04, Vol.31 (2), p.81-92

2020

Volltextzugriff (PDF)

Molecular Interaction of (Ethanol)2−Water Heterotrimers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-08, Vol.111 (33), p.8250-8256

2007

Volltextzugriff (PDF)

The role of OH…O and CH…O hydrogen bonds and H…H interactions in ethanol/methanol–water heterohexamers

Journal of molecular modeling, 2016-08, Vol.22 (8), p.181-10, Article 181

2016

Volltextzugriff (PDF)

Understanding the azeotropic diethyl carbonate–water mixture by structural and energetic characterization of DEC(H2O)n heteroclusters

Journal of molecular modeling, 2015-04, Vol.21 (4), Article 93

2015

Volltextzugriff (PDF)

EFECTOS COOPERATIVOS EN HETEROTETRÁMEROS (ETANOL)3-AGUA

Revista colombiana de química, 2009-01, Vol.38 (1), p.151-167

2009

Volltextzugriff (PDF)

Density functional theory characterization of phosphate and sulfate adsorption on Fe-(hydr)oxide: Reactivity, pH effect, estimation of Gibbs free energies, and topological analysis of hydrogen bonds

Computational and theoretical chemistry, 2013-02, Vol.1005, p.16-24

2013

Volltextzugriff (PDF)

Phosphine-stabilised Au₉ clusters interacting with titania and silica surfaces: the first evidence for the density of states signature of the support-immobilised cluster

The Journal of chemical physics, 2014-07, Vol.141 (1), p.014702-014702

2014

Volltextzugriff (PDF)

Experimental and theoretical study of the mechanism and rate constants of the sequential 5- spirocyclization involving vinyl, aryl and -alkoxyaminyl radicals

Organic & biomolecular chemistry, 2022-05, Vol.2 (2), p.4141-4154

2022

Volltextzugriff (PDF)

Lupeol Acetate and α-Amyrin Terpenes Activity against ITrypanosoma cruzi/I: Insights into Toxicity and Potential Mechanisms of Action

Tropical medicine and infectious disease, 2023-05, Vol.8 (5)

2023

Volltextzugriff (PDF)

Synthesis of trans-pinocarveol from oxidation of β-pinene using multifunctional heterogeneous catalysts

Molecular catalysis, 2023-04, Vol.541, p.113104, Article 113104

2023

Volltextzugriff (PDF)

1 – 25 von 45

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(40)
Mit Volltextzugriff
(43)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(25)
Chemistry
(16)
Physical Sciences
(16)
Life Sciences & Biomedicine
(9)
Chemistry, Multidisciplinary
(8)
Chemistry, Physical
(8)
Hydrogen Bonds
(6)
Physics
(6)
Physics, Atomic, Molecular & Chemical
(6)
Humans
(5)
Electron Density
(4)
Ethanol
(4)
Analysis
(3)
Clusters
(3)
Computer Science
(3)
Cooperative Effects
(3)
Dft
(3)
Ligands
(3)
Technology
(3)
631/378/1689/364
(2)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

A Theoretical Analysis of Interaction Energies and Intermolecular Interactions between Amphotericin B and Potential Bioconjugates Used in the Modification of Nanocarriers for Drug Delivery

Reaction Mechanism of the Isomerization of Monoterpene Epoxides with Fe3+ as Active Catalytic Specie: A Computational Approach

Looking for the Azeotrope: A Computational Study of (Ethanol)6–Water, (Methanol)6–Water, (Ethanol)7, and (Methanol)7 Heptamers

Study of the Mechanism of 7‐exo‐trig Cyclizations of Aryl, Vinyl, and Alkyl Radicals on Oxime Ethers

Effect of Charge and Phosphine Ligands on the Electronic Structure of the Au8 Cluster

Experimental and theoretical study of the mechanism and rate constants of the sequential 5- exo-trig spirocyclization involving vinyl, aryl and N -alkoxyaminyl radicals

Thermodynamics of the Isomerization of Monoterpene Epoxides

Lupeol acetate and alpha-amyrin terpenes activity against 'Trypanosoma cruzi': Insights into toxicity and potential mechanisms of action

Structural and functional computational analysis of nicotine analogs as potential neuroprotective compounds in Parkinson disease

An orbital and electron density analysis of weak interactions in ethanol-water, methanol-water, ethanol and methanol small clusters

Effect of Charge and Phosphine Ligands on the Electronic Structure of the Au 8 Cluster

The dynamic behavior of a liquid ethanol―water mixture: a perspective from quantum chemical topology

Reaction Mechanism of the Isomerization of Monoterpene Epoxides with Fe 3+ as Active Catalytic Specie: A Computational Approach

Impact of the edge of boron-nitride dots on the adsorption of clothianidin and dinotefuran insecticides

Exploring the potential energy surface of nCO2 (n = 1–5) capture by imidazole-and fluorine-based ionic liquids: A DFT study

Caracterización computacional de ligandos orgánicos derivados de ácido fumárico para la adsorción selectiva de mercurio inorgánico

Molecular Interaction of (Ethanol)2−Water Heterotrimers

The role of OH…O and CH…O hydrogen bonds and H…H interactions in ethanol/methanol–water heterohexamers

Understanding the azeotropic diethyl carbonate–water mixture by structural and energetic characterization of DEC(H2O)n heteroclusters

EFECTOS COOPERATIVOS EN HETEROTETRÁMEROS (ETANOL)3-AGUA

Density functional theory characterization of phosphate and sulfate adsorption on Fe-(hydr)oxide: Reactivity, pH effect, estimation of Gibbs free energies, and topological analysis of hydrogen bonds

Phosphine-stabilised Au₉ clusters interacting with titania and silica surfaces: the first evidence for the density of states signature of the support-immobilised cluster

Experimental and theoretical study of the mechanism and rate constants of the sequential 5- spirocyclization involving vinyl, aryl and -alkoxyaminyl radicals

Lupeol Acetate and α-Amyrin Terpenes Activity against ITrypanosoma cruzi/I: Insights into Toxicity and Potential Mechanisms of Action

Synthesis of trans-pinocarveol from oxidation of β-pinene using multifunctional heterogeneous catalysts

Suchergebnisse filtern