Sie befinden Sich nicht im Netzwerk der Universität Paderborn. Der Zugriff auf elektronische Ressourcen ist gegebenenfalls nur via VPN oder Shibboleth (DFN-AAI) möglich. mehr Informationen...
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...
    Datensatz exportieren als...
  • BibTeX
Quantum Chemical Study of the Initial Step of Ozone Addition to the Double Bond of Ethylene
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-10, Vol.116 (42), p.10420-10434
2012
Volltextzugriff (PDF)
Open Access
    Datensatz exportieren als...
  • BibTeX
Adsorption of Glyoxal (CHOCHO) and Its UV Photolysis Products on the Surface of Atmospheric Ice Nanoparticles. DFT and Density Functional Tight-Binding Study
Journal of physical chemistry. C, 2014-04, Vol.118 (14), p.7398-7413
2014
Volltextzugriff (PDF)
    Datensatz exportieren als...
  • BibTeX
Mechanism of Nitric Oxide Oxidation Reaction (2NO + O2 → 2NO2) Revisited
Journal of chemical theory and computation, 2011-07, Vol.7 (7), p.2021-2024
2011
Volltextzugriff (PDF)
    Datensatz exportieren als...
  • BibTeX
H/D exchange in N-heterocycles catalysed by an NHC-supported ruthenium complex
Catalysis science & technology, 2019, Vol.9 (13), p.3398-347
2019
Volltextzugriff (PDF)
    Datensatz exportieren als...
  • BibTeX
Adsorption and Diffusion of Hydrogen on the Surface of the Pt24 Subnanoparticle. A DFT Study
Journal of physical chemistry. C, 2016-08, Vol.120 (33), p.18570-18587
2016
Volltextzugriff (PDF)
Open Access
    Datensatz exportieren als...
  • BibTeX
Structure, Energy, and Vibrational Frequencies of Oxygen Allotropes O n (n ≤ 6) in the Covalently Bound and van der Waals Forms: Ab Initio Study at the CCSD(T) Level
Journal of chemical theory and computation, 2013-01, Vol.9 (1), p.247-262
2013
Volltextzugriff (PDF)
Open Access
    Datensatz exportieren als...
  • BibTeX
Structure, Energy, and Vibrational Frequencies of Oxygen Allotropes On (n ≤ 6) in the Covalently Bound and van der Waals Forms: Ab Initio Study at the CCSD(T) Level
Journal of chemical theory and computation, 2013-01, Vol.9 (1), p.247-262
2013
Volltextzugriff (PDF)
    Datensatz exportieren als...
  • BibTeX
Quantum Chemical Study of Trimolecular Reaction Mechanism between Nitric Oxide and Oxygen in the Gas Phase
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-08, Vol.113 (32), p.9092-9101
2009
Volltextzugriff (PDF)
    Datensatz exportieren als...
  • BibTeX
Gas-Phase Reactions Regarding GaN Crystal Growth in a Carbon-Based Transport System: A Quantum Chemical Study
Crystal growth & design, 2013-04, Vol.13 (4), p.1445-1457
2013
Volltextzugriff (PDF)
Open Access
    Datensatz exportieren als...
  • BibTeX
Correction to Gas-Phase Reactions Regarding GaN Crystal Growth in a Carbon-Based Transport System: A Quantum Chemical Study
Crystal growth & design, 2013-12, Vol.13 (12), p.5507-5507
2013
Volltextzugriff (PDF)
    Datensatz exportieren als...
  • BibTeX
The role of NH3 and hydrocarbon mixtures in GaN pseudo-halide CVD: a quantum chemical study
Journal of molecular modeling, 2014-11, Vol.20 (11), p.2473, Article 2473
2014
Volltextzugriff (PDF)
Open Access
    Datensatz exportieren als...
  • BibTeX
Adsorption of Methyl Hydroperoxide (CH3OOH) on Water Ice. Theoretical Study with Systematic Assessment of Coordination Modes
Journal of physical chemistry. C, 2011-05, Vol.115 (18), p.9081-9089
2011
Volltextzugriff (PDF)
    Datensatz exportieren als...
  • BibTeX
A proline mimetic for enantioselective aldol reaction: a quantum chemical study of a catalytic reaction with a sterically hindered l-prolinamide derivative
Journal of physical organic chemistry, 2012-11, Vol.25 (11), p.971-978
2012
Volltextzugriff (PDF)
    Datensatz exportieren als...
  • BibTeX
Adsorption and Diffusion of Hydrogen on the Surface of the Pt 24 Subnanoparticle. A DFT Study
Journal of physical chemistry. C, 2016-08, Vol.120 (33), p.18570-18587
2016
Volltextzugriff (PDF)
    Datensatz exportieren als...
  • BibTeX
Aluminum derivative peroxides in the (t-BuO) 3 Al–2t-BuOOH catalytic system as a source of electron-excited dioxygen: a quantum chemical study on a model
RSC advances, 2016, Vol.6 (98), p.95542-95555
2016
Volltextzugriff (PDF)
    Datensatz exportieren als...
  • BibTeX
Aluminum derivative peroxides in the (t-BuO)3Al-2t-BuOOH catalytic system as a source of electron-excited dioxygen: a quantum chemical study on a modelElectronic supplementary information (ESI) available: Optimized Cartesian coordinates for reported intermediates, transition states, and minimum energy crossing points; the data for the focal point analysis; the reaction pathways for the peroxides dissociation, and additional comments on chemical reactivity of the catalytic system. See DOI: 10.103
2016-10
Volltextzugriff (PDF)
    Datensatz exportieren als...
  • BibTeX
Aluminum derivative peroxides in the (t-BuO)3Al-2t-BuOOH catalytic system as a source of electron-excited dioxygen: a quantum chemical study on a model
RSC advances, 2016-10, Vol.6 (98), p.95542-95555
2016
Volltextzugriff (PDF)
    Datensatz exportieren als...
  • BibTeX
Gas-Phase Reactions Regarding GaN Crystal Growth in a Carbon-Based Transport System: A Quantum Chemical Study
Crystal growth & design, 2013, Vol.13 (4), p.1445-1457
2013
Volltextzugriff (PDF)
1 – 18 von 18
Suche als RSS-Feed
Suchergebnisse filtern
Filter anzeigen