The Journal of Physical Chemistry A

Title Titel
The Journal of Physical Chemistry A
Publisher Herausgeber

Publications Publikationen

Results 1-20 of 20 (Search time: 0.003 seconds).

PreviewAuthors / EditorsTitleTypeIssue Date
1Galvez, Oscar ; Zoermer, Anja ; Loewenschuss, Aharon ; Grothe, Hinrich A combined matrix isolation and ab initio study of bromine oxidesArtikel Article2006
2Body, M ; Legein, C ; Buzare, J-Y. ; Silly, G ; Blaha, Peter ; Martineau, C ; Calvayrac, F Advances in Structural Analysis of Fluoroaluminates Using DFT Calculations of ²⁷Al Electric Field GradientsArtikel Article2007
3Šanda, František ; Perlík, Václav ; Lincoln, Craig N. ; Hauer, Jürgen Center Line Slope Analysis in Two-Dimensional Electronic SpectroscopyArtikel Article2015
4Treiber-2022-The Journal of Physical Chemistry A-vor.pdf.jpgTreiber, Leonhard ; Kanya, Reika ; Kitzler-Zeiler, Markus ; Koch, Markus Dynamics of Above-Threshold Ionization and Laser-Assisted Electron Scattering inside Helium NanodropletsArticle Artikel 17-Nov-2022
5Xu, Huailiang ; Okino, Tomoya ; Kudou, Tatsuya ; Yamanouchi, Kaoru ; Roither, Stefan ; Kitzler, Markus ; Baltuska, Andrius ; Chin, See-Leang Effect of Laser Parameters on Ultrafast Hydrogen Migration in Methanol Studied by Coincidence Momentum ImagingArtikel Article 2012
6Uzunova, Ellie L. ; Mikosch, Hans Electronic Structure and Reactivity of Cobalt Oxide Dimers and their Hexacarbonyl Complexes: a Density Functional StudyArtikel Article2012
7Hauer, J. ; Maiuri, M. ; Viola, D. ; Lukes, V. ; Henry, S. ; Carey, A. M. ; Cogdell, R. J. ; Cerullo, G. ; Polli, D. Explaining the Temperature Dependence of Spirilloxanthin's S* Signal by an Inhomogeneous Ground State ModelArtikel Article2013
8Zolles, Tobias ; Burkart, Julia ; Häusler, Thomas ; Pummer, Bernhard ; Hitzenberger, Regina ; Grothe, Hinrich Identification of Ice Nucleation Active Sites on Feldspar Dust ParticlesArtikel Article 2015
9Tran, Fabien ; Blaha, Peter Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional TheoryArtikel Article 2017
10Dinu, Dennis F. ; Bartl, Pit ; Quoika, Patrick K. ; Podewitz, Maren ; Liedl, Klaus R. ; Grothe, Hinrich ; Loerting, Thomas Increase of Radiative Forcing through Midinfrared Absorption by Stable CO2 Dimers?Artikel Article 2022
11Koranyi, Tamas ; Pfeifer, Eva ; Mihaly, Judith ; Föttinger, Karin Infrared Spectroscopic Investigation of CO Adsorption on SBA-15- and KIT-6-Supported Nickel Phosphide Hydrotreating CatalystsArtikel Article2008
12Uzunova, Ellie L. Intersystem Crossings of the Triplet and Singlet States in Cobalt and Copper MononitrosylsArtikel Article2009
13Argüello, Gustavo ; Grothe, Hinrich ; Kronberg, Mark ; Willner, Helge ; Mack, Hans-Georg IR and Visible Absorption Spectrum of the Fluoroformyloxyl Radical, FCO2, Isolated in Inert Gas MatricesArtikel Article 1995
14Grothe, Hinrich ; Lund Myhre, Cathrine ; Nielsen, Claus Jörgen Low-Frequency Raman Spectra of Nitric Acid HydratesArtikel Article2006
15Evers, Jürgen ; Krumm, Burkhart ; Axthammer, Quirin J. ; Martens, Jörn ; Blaha, Peter ; Steemann, Franz Xaver ; Reith, Thomas ; Mayer, Peter ; Klapötke, Thomas M Molecular Structure of Isocyanic Acid, HNCO, the Imide of Carbon DioxideArtikel Article 2018
16Lund Myhre, Cathrine ; Grothe, Hinrich ; Gola, Agnieszka ; Nielsen, Claus Jörgen Optical constants of HNO3/H2O and H2SO4/HNO3/H2O at low temperatures in the infrared regionArtikel Article2005
17Shakeri, Jamaladin ; Hadadzadeh, Hassan ; Farrokhpour, Hossein ; Joshaghani, Mohammad ; Weil, Matthias Perrhenate-Catalyzed Deoxydehydration of a Vicinal Diol: A Comparative DFT StudyArtikel Article 2017
18Šimonka, Vito ; Hössinger, Andreas ; Weinbub, Josef ; Selberherr, Siegfried ReaxFF Reactive Molecular Dynamics Study of Orientation Dependence of Initial Silicon Carbide OxidationArtikel Article 2017
19Galvez, Oscar ; Zoermer, Anja ; Grothe, Hinrich Theoretical Study on the Structure of the BrO HydratesArtikel Article2006
20Dinu, Dennis F. ; Podewitz, Maren ; Grothe, Hinrich ; Liedl, Klaus R. ; Loerting, Thomas Toward Elimination of Discrepancies between Theory and Experiment: Anharmonic Rotational−Vibrational Spectrum of Water in Solid Noble Gas MatricesArtikel Article 2019