Physikalische und theoretische Chemie

Veröffentlichungen - Zeitschriftenartikel und Bücher



2012

466.

Kanaya, Y.; Hofzumahaus, Andreas; Dorn, Hans-Peter; Brauers, Theo; Fuchs, H.; Holland, Frank; Rohrer, F.; Bohn, Birger; Tillmann, R.; Wegener, R.; Wahner, A.; Kajii, Y.; Miyamoto, K.; Nishida, S.; Watanabe, K.; Yoshino, A.; Kubistin, D.; Martinez, M.; Rudolf, M.; Harder, H.; Berresheim, H.; Elste, T.; Plass-D{ü}lmer, C.; Stange, G.; Kleffmann, J{ö}rg; Elshorbany, Yasin F.; Schurath, Ulrich
Comparisons of observed and modeled OH and HO\(_{2}\) concentrations during the ambient measurement period of the HO\(_{x}\)Comp field campaign
Atmospheric Chemistry and Physics, 12 (5) :2567-2585
2012

465.

Colomer, Juan P.; Blanco, Mar{í}a B.; Pe{{\~n}}{é}{{\~n}}ory, Alicia B.; Barnes, Ian; Wiesen, Peter; Teruel, Mariano A.
Gas-phase reactivity study of (E)-3-pentenenitrile and 4-pentenenitrile towards OH radicals and Cl atoms at atmospheric pressure
Atmospheric Environment, 61 :597-604
2012
Herausgeber: Elsevier Ltd

464.

Hirano, Tsuneo; Okuda, Rei; Nagashima, Umpei; Jensen, Per
Geometries and electronic structures of the ground and low-lying excited states of FeCO: An ab initio study
The Journal of Chemical Physics, 137 (24) :244303
2012

463.

Elshorbany, Yasin F.; Kleffmann, J{ö}rg; Hofzumahaus, Andreas; Kurtenbach, Ralf; Wiesen, Peter; Brauers, Theo; Bohn, Birger; Dorn, Hans-Peter; Fuchs, H.; Holland, Frank; Rohrer, F.; Tillmann, R.; Wegener, R.; Wahner, A.; Kanaya, Y.; Yoshino, A.; Nishida, S.; Kajii, Y.; Martinez, M.; Kubistin, D.; Harder, H.; Lelieveld, J.; Elste, T.; Plass-D{ü}lmer, C.; Stange, G.; Berresheim, H.; Schurath, Ulrich
HO\(_{x}\) budgets during HOxComp: A case study of HO\(_{x}\) chemistry under NO\(_{x}\)-limited conditions
Journal of Geophysical Research: Atmospheres, 117 :D03307
2012

462.

Villena, Guillermo; Bejan, Iustinian; Kurtenbach, Ralf; Wiesen, Peter; Kleffmann, J{ö}rg
Interferences of commercial NO\(_{2}\) instruments in the urban atmosphere and in a smog chamber
Atmospheric Measurement Techniques, 5 (1) :149-159
2012

461.

Blanco, Mar{í}a B.; Barnes, Ian; Wiesen, Peter
Kinetic investigation of the OH radical and Cl atom initiated degradation of unsaturated ketones at atmospheric pressure and 298 K
Journal of Physical Chemistry A, 116 (24) :6033-6040
2012

460.

Zhou, Shouming; Barnes, Ian; Zhu, Tong; Benter, Thorsten
Kinetic Study of Gas-Phase Reactions of OH and NO\(_{3}\) Radicals and O\(_{3}\) with iso-Butyl and tert-Butyl Vinyl Ethers
The Journal of Physical Chemistry A, 116 (35) :8885-8892
2012

459.

Bejan, Iustinian; Schuermann, Anna; Barnes, Ian; Benter, Thorsten
Kinetics of the gas-phase reactions of OH radicals with a series of trimethylphenols
International Journal of Chemical Kinetics, 44 (2, SI) :117-124
2012

458.

Jensen, Per
Local modes in vibration-rotation spectroscopy
Wiley Interdisciplinary Reviews: Computational Molecular Science, 2 (3) :494-512
2012

457.

Kerbrat, Michael; Legrand, Michel; Preunkert, Susanne; Gall{é}e, Hubert; Kleffmann, J{ö}rg
Nitrous acid at Concordia (inland site) and Dumont d'Urville (coastal site), East Antarctica
Journal of Geophysical Research: Atmospheres, 117 :D08303
2012

456.

Mathissen, Marcel; Scheer, Volker; Kirchner, Ulf; Vogt, Rainer; Benter, Thorsten
Non-exhaust PM emission measurements of a light duty vehicle with a mobile trailer
Atmospheric Environment, 59 :232-242
2012

455.

Oksdath-Mansilla, Gabriela; Pe{{\~n}}{é}{{\~n}}ory, Alicia B.; Barnes, Ian; Wiesen, Peter; Teruel, Mariano A.
Photodegradation of (CH\(_{3}\)CH\(_{2}\))\(_{2}\)S and CH\(_{3}\)CH\(_{2}\)SCH\(_{3}\) initiated by OH radicals at atmospheric pressure. Product yields and mechanism in NO\(_{x}\) free air
Atmospheric Environment, 55 :263-270
2012
Herausgeber: Elsevier Ltd

454.

Singh, Poonam; Verma, Udai Pratap; Jensen, Per
Pressure and temperature induced structural, electronic and thermal properties of CdAl\(_{2}\)Se\(_{4}\)
Solid State Communications, 152 (7) :624-629
2012
Herausgeber: Elsevier Ltd

453.

Kurtenbach, Ralf; Kleffmann, J{ö}rg; Niedojadlo, Anita; Wiesen, Peter
Primary NO\(_{2}\) emissions and their impact on air quality in traffic environments in Germany
Environmental Sciences Europe, 24 (1) :21-28
2012

452.

Wissdorf, Walter; Pohler, Larissa; Klee, Sonja; M{ü}ller, David; Benter, Thorsten
Simulation of Ion Motion at Atmospheric Pressure: Particle Tracing Versus Electrokinetic Flow
Journal of The American Society for Mass Spectrometry, 23 (2) :397-406
2012

451.

Ostoji{{\'c}}, B.; Bunker, Philip R.; Schwerdtfeger, Peter; Gertych, Artur; Jensen, Per
The predicted infrared spectrum of the hypermetallic molecule CaOCa in its lowest two electronic states X\verb=~=\(^{1}\)\(\Sigma\)\(_{g}\)\(^{+}\) and a\verb=~=\(^{3}\)\(\Sigma\)\(_{u}\)\(^{+}\)
Journal of Molecular Structure, 1023 :101-107
2012
Herausgeber: Elsevier

450.

Derpmann, Valerie; Albrecht, Sascha; Benter, Thorsten
The role of ion-bound cluster formation in negative ion mass spectrometry
Rapid Communications in Mass Spectrometry, 26 (17) :1923-1933
2012
2011

449.

Yachmenev, Andrey; Yurchenko, Sergey N.; Jensen, Per; Thiel, Walter
A new ''spectroscopic'' potential energy surface for formaldehyde in its ground electronic state
The Journal of Chemical Physics, 134 (24) :244307
2011

448.

Kersten, Hendrik; Derpmann, Valerie; Barnes, Ian; Brockmann, Klaus Josef; O'Brien, Rob; Benter, Thorsten
A Novel APPI-MS Setup for In Situ Degradation Product Studies of Atmospherically Relevant Compounds: Capillary Atmospheric Pressure Photo Ionization (cAPPI)
Journal of The American Society for Mass Spectrometry, 22 (11) :2070-2081
2011

447.

Verma, Udai Pratap; Singh, Poonam; Jensen, Per
A study of the electronic, optical and thermal properties for ZnAl\(_{2}\)Se\(_{4}\) using the FP-LAPW method
Physica Status Solidi (B) Basic Research, 248 (7) :1682-1689
2011

446.

Verma, Udai Pratap; Jensen, Per; Sharma, Monika; Singh, Poonam
Ab initio studies of structural, electronic, optical and thermal properties of CuAlS\(_{2}\) chalcopyrite
Computational and Theoretical Chemistry, 975 (1-3) :122-127
2011
Herausgeber: Elsevier

445.

Verma, Udai Pratap; Sharma, Monika; Jensen, Per
Ab initio study of the properties of CuAlSe\(_{2}\): A chalcopyrite compound
Zeitschrift für Kristallographie, 226 (11) :814-821
2011
Herausgeber: Oldenbourg Wissenschaftsverlag GmbH

444.

Panda, Saroj K.; Brockmann, Klaus Josef; Benter, Thorsten; Schrader, Wolfgang
Atmospheric pressure laser ionization (APLI) coupled with Fourier transform ion cyclotron resonance mass spectrometry applied to petroleum samples analysis: comparison with electrospray ionization and atmospheric pressure photoionization methods
Rapid Communications in Mass Spectrometry, 25 (16) :2317-2326
2011

443.

Villena, Guillermo; Bejan, Iustinian; Kurtenbach, Ralf; Wiesen, Peter; Kleffmann, J{ö}rg
Development of a new Long Path Absorption Photometer (LOPAP) instrument for the sensitive detection of NO\(_{2}\) in the atmosphere
Atmospheric Measurement Techniques, 4 (8) :1663-1676
2011

442.

Singh, Poonam; Verma, Udai Pratap; Jensen, Per
Electronic and optical properties of defect chalcopyrite HgAl\(_{2}\)Se\(_{4}\)
Journal of Physics and Chemistry of Solids, 72 (12) :1414-1418
2011
Herausgeber: Pergamon

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