Publications

448.

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
Publisher: Academic Press

DOI: 10.1016/j.jms.2011.04.005

447.

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
Publisher: Elsevier

DOI: 10.1016/j.comptc.2011.03.008

446.

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
Publisher: Elsevier Ltd

DOI: 10.1016/j.atmosenv.2011.04.058

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
Publisher: Oldenbourg Wissenschaftsverlag GmbH

DOI: 10.1524/zkri.2011.1417

444.

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

DOI: 10.1002/pssb.201046389

443.

Kersten, Hendrik; Lorenz, Matthias; Brockmann, Klaus Josef; Benter, Thorsten
Evaluation of the Performance of Small Diode Pumped UV Solid State (DPSS) Nd:YAG Lasers as New Radiation Sources for Atmospheric Pressure Laser Ionization Mass Spectrometry (APLI-MS)
Journal of The American Society for Mass Spectrometry, 22 (6) :1063-1069
2011

DOI: 10.1007/s13361-011-0112-1

442.

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

DOI: 10.1140/epjb/e2011-20047-8

441.

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

DOI: 10.1007/s13361-011-0211-z

440.

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

DOI: 10.1002/pssb.201147084

439.

Villena, Guillermo; Wiesen, Peter; Cantrell, C. A.; Flocke, F.; Fried, A.; Hall, S. R.; Hornbrook, R. S.; Knapp, D.; Kosciuch, E.; Mauldin, R. L.; McGrath, J. A.; Montzka, D.; Richter, D.; Ullmann, K.; Walega, J.; Weibring, P.; Weinheimer, A.; Staebler, Ralf M.; Liao, J.; Huey, L. G.; Kleffmann, Jörg
Nitrous acid (HONO) during polar spring in Barrow, Alaska: A net source of OH radicals?
Journal of Geophysical Research Atmospheres, 116 (24) :1-12
2011

DOI: 10.1029/2011JD016643

438.

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

DOI: 10.1063/1.3599927

437.

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
Publisher: Pergamon

DOI: 10.1016/j.jpcs.2011.08.013

436.

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

DOI: 10.1039/c0cp02996c

435.

Jurkat, T.; Voigt, C.; Arnold, Frank; Schlager, H.; Kleffmann, Jörg; 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
Publisher: John Wiley \& Sons, Ltd

DOI: 10.1029/2011GL046884

434.

Mathissen, Marcel; Scheer, Volker; Vogt, Rainer; Benter, Thorsten
Investigation on the potential generation of ultrafine particles from the tire-road interface
Atmospheric Environment, 45 (34) :6172-6179
2011

DOI: 10.1016/j.atmosenv.2011.08.032

433.

Rubio, Maria A; Vilches, Valeria; Lissi, Eduardo; Villena, Guillermo; Elshorbany, Yasin F; Kleffmann, Joerg; Kurtenbach, Ralf; Wiesen, Peter
Rate of nocturnal ozone depletion in downtown Santiago, Chile
Fresenius Environmental Bulletin, 20 (5)
2011
Publisher: Parlar Scientific Publications, Angerstr 12 Freising 85354 Germany

432.

Elshorbany, Yasin F.; Barnes, Ian; Becker, Karl Heinz; Kleffmann, Jörg; Wiesen, Peter
Sources and cycling of tropospheric hydroxyl radicals - An overview
Zeitschrift für Physikalische Chemie, 224 (7-8) :967-987
2010

DOI: 10.1524/zpch.2010.6136

431.

Yurchenko, Sergey N.; Carvajal, Miguel; Yachmenev, Andrey; Thiel, Walter; Jensen, Per
A theoretical-spectroscopy, ab initio-based study of the electronic ground state of \(^{121}\)SbH\(_{3}\)
Journal of Quantitative Spectroscopy and Radiative Transfer, 111 (15) :2279-2290
2010
Publisher: Pergamon

DOI: 10.1016/j.jqsrt.2010.03.008

430.

Yachmenev, Andrey; Yurchenko, Sergey N.; Paidarov{{\'a}}, Ivana; Jensen, Per; Thiel, Walter; Sauer, Stephan P. A.
Thermal averaging of the indirect nuclear spin-spin coupling constants of ammonia: The importance of the large amplitude inversion mode
The Journal of Chemical Physics, 132 (11) :114305
2010

DOI: 10.1063/1.3359850

429.

Hirano, Tsuneo; Nagashima, Umpei; Winnewisser, Gisbert; Jensen, Per
Electronic structures and rovibronically averaged geometries of the X\verb=~= \(^{6}\)A\(_{i}\)' and A\verb=~= \(^{6}\)A\(_{i}\)'' states of FeOH
The Journal of Chemical Physics, 132 (9) :094303
2010

DOI: 10.1063/1.3317405

428.

Hirano, Tsuneo; Derpmann, Valerie; Nagashima, Umpei; Jensen, Per
Large amplitude bending motion in CsOH, studied through ab initio-based three-dimensional potential energy functions
Journal of Molecular Spectroscopy, 263 (2) :150-159
2010
Publisher: Academic Press

DOI: 10.1016/j.jms.2010.07.009

427.

Ostoji{{\'c}}, B.; Jensen, Per; Schwerdtfeger, Peter; Assadollahzadeh, B.; Bunker, Philip R.
The predicted infrared spectrum of the hyperberyllium molecule BeOBe in its X\verb=~=\(^{1}\)\(\Sigma\)\(_{g}\)\(^{+}\) and a\verb=~=\(^{3}\)\(\Sigma\)\(_{u}\)\(^{+}\) electronic states
Journal of Molecular Spectroscopy, 263 (1) :21-26
2010
Publisher: Academic Press

DOI: 10.1016/J.JMS.2010.06.008

426.

Blanco, Mar{í}a B.; Bejan, Iustinian; Barnes, Ian; Wiesen, Peter; Teruel, Mariano A.
FTIR product distribution study of the Cl and OH initiated degradation of methyl acrylate at atmospheric pressure
Environmental Science and Technology, 44 (18) :7031-7036
2010

DOI: 10.1021/es101831r

425.

Elshorbany, Yasin F.; Kleffmann, Jörg; Kurtenbach, Ralf; Lissi, Eduardo; Rubio, Mar{í}a A.; Villena, Guillermo; Gramsch, E.; Rickard, A. R.; Pilling, M. J.; Wiesen, Peter
Seasonal dependence of the oxidation capacity of the city of Santiago de Chile
Atmospheric Environment, 44 (40) :5383-5394
2010
Publisher: Pergamon

DOI: 10.1016/J.ATMOSENV.2009.08.036

424.

Verma, Udai Pratap; Mohini ; Bisht, P. S.; Jensen, Per
Ab initio studies of structural, electronic, magnetic and mechanical properties of alkali earth metal silicides
Semiconductor Science and Technology, 25 (10) :105002
2010

DOI: 10.1088/0268-1242/25/10/105002

Publications - Peer reviewed articles and books