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Dr. Daniel Kinzel

Arbeitsgruppe

Arbeitsgruppe Nanospektroskopie


 
Daniel Kinzel Adresse: Helmholtzweg 4
07743 Jena
Raum: K009, Bürogebäude
Telefon: 03641/9-48334
Fax: 03641/9-48302
Email: daniel.kinzel@uni-jena.de

Ab initio Quantenchemie und -dynamik, Ramanspektroskopie, TERS, Feld-induzierte Effekte

Veröffentlichungen von Daniel Kinzel

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Referierte Publikationen

16.Stephan Kupfer, Daniel Kinzel, Michael Siegmann, Jule Philipp, Benjamin Dietzek und Stefanie Gräfe,
Fate of Photo-Excited Molecular Antennae - Inter-Molecular Energy Transfer vs. Photodegradation Assessed by Quantum Dynamics.
J. Phys. Chem. C, 10.1021/acs.jpcc.7b12190 (2018).
15.Alexander Koch, Daniel Kinzel, Fabian Dröge, Stefanie Gräfe und Stephan Kupfer,
Photochemistry and Electron Transfer Kinetics in a Photocatalyst Model Assessed by Marcus Theory and Quantum Dynamics.
J. Phys. Chem. C, 10.1021/acs.jpcc.7b02812 (2017).
14.Federico Latorre, Stephan Kupfer, Thomas Bocklitz, Daniel Kinzel, Steffen Trautmann, Stefanie Gräfe und Volker Deckert,
Spatial resolution of tip-enhanced Raman spectroscopy – DFT assessment of the chemical effect.
Nanoscale, 8, 10229-10239 (2016).
13.Daniel Kinzel, Shmuel Zilberg und Leticia González,
Origin of the Regioselectivity in the Gas-Phase Aniline+CH3+ Electrophilic Aromatic Substitution.
Chem. Phys. Chem. , 10.1002/cphc.201500256 (2015).
12.Rana Obaid, Daniel Kinzel, Markus Oppel und Leticia González,
Separating nuclear spin isomers using a pump.
Theor. Chem. Acc., 134(4), 46 (2015).
11.Rana Obaid, Daniel Kinzel, Markus Oppel und Leticia González,
Discrimination of nuclear spin isomers exploiting the excited state dynamics of a quinodimethane derivative.
J. Chem. Phys., 141(16), 164323 (2014).
10.Daniel Kinzel, Shmuel Zilberg und Leticia González,
Gas-phase electrophilic aromatic substitution mechanism with strong electrophiles explained by ab initio non-adiabatic dynamics.
Phys. Chem. Chem. Phys., 16(35), 18686-18689 (2014).
9.Diogo Almeida, Daniel Kinzel, Filipe Ferreira da Silva, Benjamin Puschnigg, David Gschliesser, Paul Scheier, Stephan Denifl, Gustavo García, Leticia González und Paulo Limão-Vieira,
N-site de-methylation in pyrimidine bases as studied by low energy electrons and ab initio calculations.
Phys. Chem. Chem. Phys., 15(27), 11431-11440 (2013).
8.Steffen Belz, Omar Deeb, Leticia González, Thomas Grohmann, Daniel Kinzel, Monika Leibscher, Jörn Manz, Rana Obaid, Markus Oppel, George D. Xavier und Shmue Zilberg,
Nuclear Spin Selective Torsional States: Implications of Molecular Symmetry.
Zeitschr. f. Phys. Chem., 227(6-7), 1021-1043 (2013).
7.Daniel Kinzel, Jesús González-Vázquez und Leticia González,
H-abstraction is more efficient than cis-trans isomerization in (4-methylcyclohexylidene) fluoromethane. An ab initio molecular dynamics study.
Physical Chemistry Chemical Physics, 14(18), 6241-6249 (2012).

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