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...

Heat Capacity Estimation Using a Complete Set of Homodesmotic Reactions for Organic Compounds

Molecules (Basel, Switzerland), 2022-11, Vol.27 (22), p.7814

Khursan, Sergey L

2022

Volltextzugriff (PDF)

BEP-Like Correction of Nonequilibrium Thermodynamic Parameters of the Solvent-Assisted Reactions: The DFT and Ab Initio Study of Hydration, Peroxidation, and Enolization of Acetone and 1,1,1-Trifluoroacetone in Aqueous Solutions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-09, Vol.125 (34), p.7369-7381

2021

Volltextzugriff (PDF)

Comprehensive Study of the Mechanism of the “Aromatic Nitroso Oxide–Olefin” Interaction as a Function of the Reagents’ Structure

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-05, Vol.127 (20), p.4415-4428

2023

Volltextzugriff (PDF)

Interplay of the Ring and Steric Strains in the Highly Substituted Cyclopropanes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-09, Vol.125 (35), p.7607-7615

2021

Volltextzugriff (PDF)

Theoretical determination of the standard enthalpies of formation of alkyl radicals using the concept of a complete set of homodesmotic reactions

Journal of molecular graphics & modelling, 2023-12, Vol.125, p.108615-108615, Article 108615

2023

Volltextzugriff (PDF)

Global Kinetics and Spectral Modeling of p‑Methoxyphenyl Azide Photooxidation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-11, Vol.126 (44), p.8188-8195

2022

Volltextzugriff (PDF)

Experimental and theoretical substantiation of differences of geometric isomers of copper(II) α-amino acid chelates in ATR-FTIR spectra

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2020-03, Vol.229, p.117950, Article 117950

2020

Volltextzugriff (PDF)

Glycyrrhetinic acid derivatives as Zika virus inhibitors: Synthesis and antiviral activity in vitro

Bioorganic & medicinal chemistry, 2021-07, Vol.41, p.116204-116204, Article 116204

2021

Volltextzugriff (PDF)

Synthesis of 4-Aminopyrazol-5-ols as Edaravone Analogs and Their Antioxidant Activity

Molecules (Basel, Switzerland), 2022-11, Vol.27 (22), p.7722

2022

Volltextzugriff (PDF)

Optical Configuration Effect on the Structure and Reactivity of Diastereomers Revealed by Spin Effects and Molecular Dynamics Calculations

International journal of molecular sciences, 2021-12, Vol.23 (1), p.38

2021

Volltextzugriff (PDF)

Selection of influenza virus resistant to the novel camphor-based antiviral camphecene results in loss of pathogenicity

Virology (New York, N.Y.), 2018-11, Vol.524, p.69-77

2018

Volltextzugriff (PDF)

Conformational Transformations in Aromatic Nitroso Oxides

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-07, Vol.120 (28), p.5693-5705

2016

Volltextzugriff (PDF)

Toward understanding the regioselectivity of the one‐pot reaction of phenylene diamines with aldehydes and cyclopentadiene (Povarov reaction). Combined experimental and theoretical approaches

Journal of heterocyclic chemistry, 2022-11, Vol.59 (11), p.2025-2036

2022

Volltextzugriff (PDF)

New polymers based on thieno[3,2-]pyrrole derivatives and their electrochemical properties

Polymer chemistry, 2023-11, Vol.14 (44), p.4986-4993

2023

Volltextzugriff (PDF)

On the use of the spectral luminescent method for studying acid–base equilibria of uracil derivatives in aqueous solutions

Biophysical chemistry, 2020-11, Vol.266, p.106432-106432, Article 106432

2020

Volltextzugriff (PDF)

Structure‐activity relationship in the case of intramolecular ortho‐cyclization of aromatic nitroso oxides: Inverted steric effect of substituent in the 2‐R‐C6H4NOO transformation

International journal of quantum chemistry, 2020-02, Vol.120 (4), p.n/a

2020

Volltextzugriff (PDF)

Ortho-Cyclization in Asymmetrically Substituted Arylnitroso Oxides

Journal of organic chemistry, 2020-08, Vol.85 (16), p.10813-10822

2020

Volltextzugriff (PDF)

Theoretical Models for Quantitative Description of the Acid–Base Equilibria of the 5,6-Substituted Uracils

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-01, Vol.122 (1), p.341-349

2018

Volltextzugriff (PDF)

Experimental study and kinetic modeling of radical-coordination styrene polymerization with participation of ferrocene

Journal of polymer research, 2022-10, Vol.29 (10), Article 429

2022

Volltextzugriff (PDF)

The substituent effects on the [3+2] cycloaddition of nitrile oxides generated by photooxidation of arylazides to acetonitrile

Journal of molecular graphics & modelling, 2020-03, Vol.95, p.107491-107491, Article 107491

2020

Volltextzugriff (PDF)

The pKa theoretical estimation of C-H, N-H, O-H and S-H acids in dimethylsulfoxide solution

Journal of physical organic chemistry, 2014-12, Vol.27 (12), p.926-934

2014

Volltextzugriff (PDF)

Nature of Lewis Base Catalysis of 1,3-Dipolar Cycloaddition of Methyl Diazoacetate to Methyl Acrylate; NMR Kinetic Spectroscopy and DFT Study

The journal of physical chemistry. B, 2017-07, Vol.121 (27), p.6601-6609

2017

Volltextzugriff (PDF)

Detection and Structure of HOON: Microwave Spectroscopy Reveals an O-O Bond Exceeding 1.9 Å

Science (American Association for the Advancement of Science), 2013-12, Vol.342 (6164), p.1354-1357

2013

Volltextzugriff (PDF)

5-Fluorouracil solutions: NMR study of acid-base equilibrium in water and DMSO

Journal of physical organic chemistry, 2014-11, Vol.27 (11), p.876-883

2014

Volltextzugriff (PDF)

Luminescent characterization of interaction efficiency between (−)-cytisine and amino acids an indicator of anti-inflammatory of some 12-N-substituted (−)-cytisine derivatives

Journal of photochemistry and photobiology. A, Chemistry., 2017-07, Vol.344, p.192-198

2017

Volltextzugriff (PDF)

1 – 25 von 86

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(81)
Mit Volltextzugriff
(81)

Publikationsform

Artikel
(86)

Sprache

Erscheinungsjahr

n.n

Neu hinzugefügt

... seit 30 Tagen
(1)

Menü

Weitere Dienste

Einstellungen

Heat Capacity Estimation Using a Complete Set of Homodesmotic Reactions for Organic Compounds

BEP-Like Correction of Nonequilibrium Thermodynamic Parameters of the Solvent-Assisted Reactions: The DFT and Ab Initio Study of Hydration, Peroxidation, and Enolization of Acetone and 1,1,1-Trifluoroacetone in Aqueous Solutions

Comprehensive Study of the Mechanism of the “Aromatic Nitroso Oxide–Olefin” Interaction as a Function of the Reagents’ Structure

Interplay of the Ring and Steric Strains in the Highly Substituted Cyclopropanes

Theoretical determination of the standard enthalpies of formation of alkyl radicals using the concept of a complete set of homodesmotic reactions

Global Kinetics and Spectral Modeling of p‑Methoxyphenyl Azide Photooxidation

Experimental and theoretical substantiation of differences of geometric isomers of copper(II) α-amino acid chelates in ATR-FTIR spectra

Glycyrrhetinic acid derivatives as Zika virus inhibitors: Synthesis and antiviral activity in vitro

Synthesis of 4-Aminopyrazol-5-ols as Edaravone Analogs and Their Antioxidant Activity

Optical Configuration Effect on the Structure and Reactivity of Diastereomers Revealed by Spin Effects and Molecular Dynamics Calculations

Selection of influenza virus resistant to the novel camphor-based antiviral camphecene results in loss of pathogenicity

Conformational Transformations in Aromatic Nitroso Oxides

Toward understanding the regioselectivity of the one‐pot reaction of phenylene diamines with aldehydes and cyclopentadiene (Povarov reaction). Combined experimental and theoretical approaches

New polymers based on thieno[3,2-]pyrrole derivatives and their electrochemical properties

On the use of the spectral luminescent method for studying acid–base equilibria of uracil derivatives in aqueous solutions

Structure‐activity relationship in the case of intramolecular ortho‐cyclization of aromatic nitroso oxides: Inverted steric effect of substituent in the 2‐R‐C6H4NOO transformation

Ortho-Cyclization in Asymmetrically Substituted Arylnitroso Oxides

Theoretical Models for Quantitative Description of the Acid–Base Equilibria of the 5,6-Substituted Uracils

Experimental study and kinetic modeling of radical-coordination styrene polymerization with participation of ferrocene

The substituent effects on the [3+2] cycloaddition of nitrile oxides generated by photooxidation of arylazides to acetonitrile

The pKa theoretical estimation of C-H, N-H, O-H and S-H acids in dimethylsulfoxide solution

Nature of Lewis Base Catalysis of 1,3-Dipolar Cycloaddition of Methyl Diazoacetate to Methyl Acrylate; NMR Kinetic Spectroscopy and DFT Study

Detection and Structure of HOON: Microwave Spectroscopy Reveals an O-O Bond Exceeding 1.9 Å

5-Fluorouracil solutions: NMR study of acid-base equilibrium in water and DMSO

Luminescent characterization of interaction efficiency between (−)-cytisine and amino acids an indicator of anti-inflammatory of some 12-N-substituted (−)-cytisine derivatives

Suchergebnisse filtern