UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 211

Sortiert nach

Rate rules for hydrogen abstraction reaction kinetics of polycyclic aromatic hydrocarbons and vinyl radical

Theoretical chemistry accounts, 2020-06, Vol.139 (6), Article 94

2020

Volltextzugriff (PDF)

Pressure-Dependent Rate Rules for Intramolecular H‑Migration Reactions of Hydroperoxyalkylperoxy Radicals in Low Temperature

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-04, Vol.121 (16), p.3001-3018

2017

Volltextzugriff (PDF)

Pressure-Dependent Rate Rules for the Intramolecular H‑Shift Reactions of Hydroperoxy-Alkenyl-Peroxy Radicals in Low Temperature

Energy & fuels, 2019-06, Vol.33 (6), p.5597-5609

2019

Volltextzugriff (PDF)

Kinetic Analysis for Reaction of Cyclopentadiene with Hydroperoxyl Radical under Low- and Medium-Temperature Combustion

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-10, Vol.124 (40), p.8280-8291

2020

Volltextzugriff (PDF)

Rate rules for hydrogen abstraction reaction kinetics of alkenes from allylic sites by HO2 radical

Computational and theoretical chemistry, 2020-06, Vol.1179, p.112795, Article 112795

2020

Volltextzugriff (PDF)

Pyrolysis of RDX and Its Derivatives via Reactive Molecular Dynamics Simulations

Wuli huaxue xuebao, 2017, Vol.33 (4), p.745-754

2017

Volltextzugriff (PDF)

Theoretical Kinetic Study of Thermal Decomposition of Cyclohexane

Energy & fuels, 2012-05, Vol.26 (5), p.2811-2820

2012

Volltextzugriff (PDF)

Potential Energy Surface for Large Barrierless Reaction Systems: Application to the Kinetic Calculations of the Dissociation of Alkanes and the Reverse Recombination Reactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-05, Vol.122 (21), p.4869-4881

2018

Volltextzugriff (PDF)

Accurate Calculation of the Energy Barriers and Rate Constants of Hydrogen Abstraction from Alkanes by Hydroperoxyl Radical

Wuli huaxue xuebao, 2017, Vol.33 (4), p.763-768

2017

Volltextzugriff (PDF)

Calculation of Rate Constants for Intramolecular Hydrogen Migration Reactions of Alkylperoxy Radicals

Wuli huaxue xuebao, 2015, Vol.31 (5), p.859-865

2015

Volltextzugriff (PDF)

Accurate prediction of thermodynamic properties of alkyl peroxides by combining density functional theory calculation with least-square calibration

Journal of computational chemistry, 2009-05, Vol.30 (7), p.1007-1015

2009

Volltextzugriff (PDF)

Kinetics and Mechanism for Formation of Enols in Reaction of Hydroxide Radical with Propene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-03, Vol.113 (11), p.2372-2382

2009

Volltextzugriff (PDF)

Calculation of the rate constants for concerted elimination reaction class of hydroperoxyl-alkyl-peroxyl radicals

Theoretical chemistry accounts, 2017-05, Vol.136 (5), p.1-12, Article 64

2017

Volltextzugriff (PDF)

Accurate prediction of enthalpies of formation for a large set of organic compounds

Journal of computational chemistry, 2010-11, Vol.31 (14), p.2585-2592

2010

Volltextzugriff (PDF)

Interpretation and Application of Reaction Class Transition State Theory for Accurate Calculation of Thermokinetic Parameters Using Isodesmic Reaction Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-04, Vol.117 (16), p.3279-3291

2013

Volltextzugriff (PDF)

Reaction of ketenyl radical with hydroxyl radical over C2H2O2 potential energy surface: A theoretical study

Combustion and flame, 2014-04, Vol.161 (4), p.885-897

2014

Volltextzugriff (PDF)

Kinetic Calculation and Modeling Study of 1, 3-Butadiene Pyrolysis

Wuli huaxue xuebao, 2016-02, Vol.32 (2), p.453-464

2016

Volltextzugriff (PDF)

Theoretical and kinetic study of reaction C2H + C3H6 on the C5H7 potential energy surface

Theoretical chemistry accounts, 2015, Vol.134 (1), Article 1599

2015

Volltextzugriff (PDF)

Theoretical Investigations on Removal Reactions of Ethenol by H Atom

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-03, Vol.115 (9), p.1602-1608

2011

Volltextzugriff (PDF)

Accurate Calculation of the Reaction Barriers and Rate Constants of the Pyrolysis of Alkyl Radicals in the β Position Using the Isodesmic Reaction Method

Wuli huaxue xuebao, 2012, Vol.28 (12), p.2824-2830

2012

Volltextzugriff (PDF)

Interrelationships between HIV/AIDS and risk behavior prejudice among medical students in Southern China

Current HIV research, 2009-11, Vol.7 (6), p.601

2009

Volltextzugriff (PDF)

In silico prediction of adverse drug reactions and toxicities based on structural, biological and clinical data

Current drug safety, 2012-07, Vol.7 (3), p.225

2012

Volltextzugriff (PDF)

Prediction of the acute toxicity of chemical compounds to the fathead minnow by machine learning approaches

Chemometrics and intelligent laboratory systems, 2010-01, Vol.100 (1), p.66-73

2010

Volltextzugriff (PDF)

Theoretical study on the aminolysis of p-substituted phenyl acetates with dimeric ammonia in vacuo and acetonitrile

Computational and theoretical chemistry, 2013-03, Vol.1008, p.8-14

2013

Volltextzugriff (PDF)

Classification Models for Acetylcholinesterase Inhibitors Based on Machine Learning Methods

Wuli huaxue xuebao, 2010, Vol.26 (12), p.3351-3359

2010

Volltextzugriff (PDF)

1 – 25 von 211

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(154)
Mit Volltextzugriff
(190)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(128)
Life Sciences & Biomedicine
(57)
Physical Sciences
(54)
Chemistry
(42)
Humans
(37)
Technology
(29)
Chemistry, Physical
(25)
Engineering
(22)
Male
(21)
Female
(17)
Pharmacology & Pharmacy
(14)
Adult
(12)
Middle Aged
(12)
Physics
(12)
Energy & Fuels
(10)
Engineering, Chemical
(10)
Materials Science
(10)
Materials Science, Multidisciplinary
(10)
Mathematical Analysis
(9)
Physics, Atomic, Molecular & Chemical
(9)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 90 Tagen
(3)

Menü

Weitere Dienste

Einstellungen

Rate rules for hydrogen abstraction reaction kinetics of polycyclic aromatic hydrocarbons and vinyl radical

Pressure-Dependent Rate Rules for Intramolecular H‑Migration Reactions of Hydroperoxyalkylperoxy Radicals in Low Temperature

Pressure-Dependent Rate Rules for the Intramolecular H‑Shift Reactions of Hydroperoxy-Alkenyl-Peroxy Radicals in Low Temperature

Kinetic Analysis for Reaction of Cyclopentadiene with Hydroperoxyl Radical under Low- and Medium-Temperature Combustion

Rate rules for hydrogen abstraction reaction kinetics of alkenes from allylic sites by HO2 radical

Pyrolysis of RDX and Its Derivatives via Reactive Molecular Dynamics Simulations

Theoretical Kinetic Study of Thermal Decomposition of Cyclohexane

Potential Energy Surface for Large Barrierless Reaction Systems: Application to the Kinetic Calculations of the Dissociation of Alkanes and the Reverse Recombination Reactions

Accurate Calculation of the Energy Barriers and Rate Constants of Hydrogen Abstraction from Alkanes by Hydroperoxyl Radical

Calculation of Rate Constants for Intramolecular Hydrogen Migration Reactions of Alkylperoxy Radicals

Accurate prediction of thermodynamic properties of alkyl peroxides by combining density functional theory calculation with least-square calibration

Kinetics and Mechanism for Formation of Enols in Reaction of Hydroxide Radical with Propene

Calculation of the rate constants for concerted elimination reaction class of hydroperoxyl-alkyl-peroxyl radicals

Accurate prediction of enthalpies of formation for a large set of organic compounds

Interpretation and Application of Reaction Class Transition State Theory for Accurate Calculation of Thermokinetic Parameters Using Isodesmic Reaction Method

Reaction of ketenyl radical with hydroxyl radical over C2H2O2 potential energy surface: A theoretical study

Kinetic Calculation and Modeling Study of 1, 3-Butadiene Pyrolysis

Theoretical and kinetic study of reaction C2H + C3H6 on the C5H7 potential energy surface

Theoretical Investigations on Removal Reactions of Ethenol by H Atom

Accurate Calculation of the Reaction Barriers and Rate Constants of the Pyrolysis of Alkyl Radicals in the β Position Using the Isodesmic Reaction Method

Interrelationships between HIV/AIDS and risk behavior prejudice among medical students in Southern China

In silico prediction of adverse drug reactions and toxicities based on structural, biological and clinical data

Prediction of the acute toxicity of chemical compounds to the fathead minnow by machine learning approaches

Theoretical study on the aminolysis of p-substituted phenyl acetates with dimeric ammonia in vacuo and acetonitrile

Classification Models for Acetylcholinesterase Inhibitors Based on Machine Learning Methods

Suchergebnisse filtern