Physikalische und theoretische Chemie



2012

466.

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

465.

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

464.

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

463.

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

462.

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

461.

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

460.

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

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.

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

457.

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

456.

Stella, Patrick; Loubet, Benjamin; Laville, P.; Lamaud, E.; Cazaunau, Mathieu; Laufs, Sebastian; Bernard, F.; Grosselin, B.; Mascher, N.; Kurtenbach, Ralf; Mellouki, Abdelwahid; Kleffmann, J{ö}rg; Cellier, Pierre
Comparison of methods for the determination of NO-O\(_{3}\)-NO\(_{2}\) fluxes and chemical interactions over a bare soil
Atmospheric Measurement Techniques, 5 (6) :1241-1257
2012

455.

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

454.

Vaikkinen, Anu; Haapala, Markus; Kersten, Hendrik; Benter, Thorsten; Kostiainen, Risto; Kauppila, Tiina J.
Comparison of Direct and Alternating Current Vacuum Ultraviolet Lamps in Atmospheric Pressure Photoionization
Analytical Chemistry, 84 (3) :1408-1415
2012

453.

Blanco, Mar{í}a B.; Bejan, Iustinian; Barnes, Ian; Wiesen, Peter; Teruel, Mariano A.
Atmospheric oxidation of vinyl and allyl acetate: Product distribution and mechanisms of the OH-initiated degradation in the presence and absence of NO\(_{x}\)
Environmental Science and Technology, 46 (16) :8817-8825
2012

452.

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

451.

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

450.

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
2011

449.

Jurkat, T.; Voigt, C.; Arnold, Frank; Schlager, H.; Kleffmann, J{ö}rg; Aufmhoff, H.; Sch{ä}uble, D.; Schaefer, M.; Schumann, Ulrich
Measurements of HONO, NO, NO\(_{y}\) and SO\(_{2}\) in aircraft exhaust plumes at cruise
Geophysical Research Letters, 38 (10) :L10807
2011
Herausgeber: John Wiley \& Sons, Ltd

448.

Villena, Guillermo; Kleffmann, J{ö}rg; Kurtenbach, Ralf; Wiesen, Peter; Lissi, Eduardo; Rubio, Mar{í}a A.; Croxatto, Giovanna; Rappengl{ü}ck, Bernhard
Vertical gradients of HONO, NO\(_{x}\) and O\(_{3}\) in Santiago de Chile
Atmospheric Environment, 45 (23) :3867-3873
2011
Herausgeber: Pergamon

447.

Yurchenko, Sergey N.; Barber, Robert J.; Tennyson, Jonathan; Thiel, Walter; Jensen, Per
Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study
Journal of Molecular Spectroscopy, 268 (1-2) :123-129
2011
Herausgeber: Academic Press

446.

Verma, Udai Pratap; Singh, Poonam; Jensen, Per
Theoretical study on pressure-induced phase transition and thermal properties of HgAl\(_{2}\)Se\(_{4}\)
Physica Status Solidi (B) Basic Research, 248 (12) :2801-2808
2011

445.

Helmis, Costas G.; Sgouros, George; Flocas, H.; Sch{ä}fer, Klaus; Jahn, Carsten; Hoffmann, Maria; Heyder, Ch.; Kurtenbach, Ralf; Niedojadlo, Anita; Wiesen, Peter; O'Connor, Michael; Anamaterou, Evi
The role of meteorology on the background air quality at the Athens International Airport
Atmospheric Environment, 45 (31) :5561-5571
2011
Herausgeber: Elsevier Ltd

444.

Ostoji{{\'c}}, B.; Bunker, Philip R.; Schwerdtfeger, Peter; Assadollahzadeh, B.; Jensen, Per
The predicted spectrum of the hypermetallic molecule MgOMg
Physical Chemistry Chemical Physics, 13 (16) :7546-7553
2011

443.

Verma, Udai Pratap; Devi, N.; Sharma, S.; Jensen, Per
Spin-polarized first-principles study of ferromagnetism in zinc-blende In\(_{1-x}\)Mn\(_{x}\)Sb
The European Physical Journal B, 81 (4) :381-386
2011

442.

P{ö}hler, Thorsten; Kunte, Robert; Hoenen, Herwart; Jeschke, Peter; Wissdorf, Walter; Brockmann, Klaus Josef; Benter, Thorsten
Numerical Simulation and Experimental Validation of the Three-Dimensional Flow Field and Relative Analyte Concentration Distribution in an Atmospheric Pressure Ion Source
Journal of The American Society for Mass Spectrometry, 22 (11) :2061-2069
2011

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