Zeitschrift: The Journal of Physical Chemistry A

2024

Brütting, Moritz ; Bahmann, Hilke ; Kümmel, Stephan:
Combining Local Range Separation and Local Hybrids : A Step in the Quest for Obtaining Good Energies and Eigenvalues from One Functional.
In: The Journal of Physical Chemistry A. Bd. 128 (2024) Heft 26 . - S. 5212-5223.
ISSN 1520-5215
DOI: https://doi.org/10.1021/acs.jpca.4c02787

2022

Stäglich, Robert ; Kemnitzer, Tobias W. ; Harder, Marie C. ; Schmutzler, Adrian ; Meinhart, Marcel ; Keenan, Caroline D. ; Rößler, Ernst ; Senker, Jürgen:
Portable Hyperpolarized Xe-129 Apparatus with Long-Time Stable Polarization Mediated by Adaptable Rb Vapor Density.
In: The Journal of Physical Chemistry A. Bd. 126 (2022) Heft 16 . - S. 2578-2589.
ISSN 1520-5215
DOI: https://doi.org/10.1021/acs.jpca.2c00891

2021

Beer, Patrick ; Reichstein, Paul M. ; Schötz, Konstantin ; Raithel, Dominic ; Thelakkat, Mukundan ; Köhler, Jürgen ; Panzer, Fabian ; Hildner, Richard:
Disorder in P3HT Nanoparticles Probed by Optical Spectroscopy on P3HT-b-PEG Micelles.
In: The Journal of Physical Chemistry A. Bd. 125 (2021) Heft 47 . - S. 10165-10173.
ISSN 1520-5215
DOI: https://doi.org/10.1021/acs.jpca.1c08377

Schötz, Konstantin ; Panzer, Fabian:
Using In Situ Optical Spectroscopy to Elucidate Film Formation of Metal Halide Perovskites.
In: The Journal of Physical Chemistry A. Bd. 125 (2021) Heft 11 . - S. 2209-2225.
ISSN 1520-5215
DOI: https://doi.org/10.1021/acs.jpca.0c10765

2020

del Rio, Beatriz G. ; Künneth, Christopher ; Tran, Huan Doan ; Ramprasad, Rampi:
An Efficient Deep Learning Scheme To Predict the Electronic Structure of Materials and Molecules : The Example of Graphene-Derived Allotropes.
In: The Journal of Physical Chemistry A. Bd. 124 (2020) Heft 45 . - S. 9496-9502.
ISSN 1520-5215
DOI: https://doi.org/10.1021/acs.jpca.0c07458

Peyton, Benjamin G. ; Briggs, Connor ; D'Cunha, Ruhee ; Margraf, Johannes T. ; Crawford, T. Daniel:
Machine-Learning Coupled Cluster Properties through a Density Tensor Representation.
In: The Journal of Physical Chemistry A. Bd. 124 (2020) Heft 23 . - S. 4861-4871.
ISSN 1520-5215
DOI: https://doi.org/10.1021/acs.jpca.0c02804

2018

Buchhorn, Michael ; Wedler, Stefan ; Panzer, Fabian:
Setup to Study the in Situ Evolution of Both Photoluminescence and Absorption during the Processing of Organic or Hybrid Semiconductors.
In: The Journal of Physical Chemistry A. Bd. 122 (2018) Heft 46 . - S. 9115-9122.
ISSN 1520-5215
DOI: https://doi.org/10.1021/acs.jpca.8b07495

Marcus, Max ; Milward, Jonathan D. ; Köhler, Anna ; Barford, William:
Structural Information for Conjugated Polymers from Optical Modeling.
In: The Journal of Physical Chemistry A. Bd. 122 (2018) Heft 14 . - S. 3621-3625.
ISSN 1520-5215
DOI: https://doi.org/10.1021/acs.jpca.8b01585

2016

Baderschneider, Sebastian ; Scherf, Ullrich ; Köhler, Jürgen ; Hildner, Richard:
Influence of the Conjugation Length on the Optical Spectra of Single Ladder-Type (p-Phenylene) Dimers and Polymers.
In: The Journal of Physical Chemistry A. Bd. 120 (2016) Heft 2 . - S. 233-240.
ISSN 1520-5215
DOI: https://doi.org/10.1021/acs.jpca.5b10879

2015

Wittmer, Julian ; Bleicher, Sergej ; Zetzsch, Cornelius:
Iron(III)-induced activation of chloride and bromide from modeled saltpans.
In: The Journal of Physical Chemistry A. Bd. 119 (2015) . - S. 4373-4385.
ISSN 1520-5215
DOI: https://doi.org/10.1021/jp508006s

2014

Rinne, Klaus F. ; Gekle, Stephan ; Netz, Roland R.:
Ion-Specific Solvation Water Dynamics : Single Water versus Collective Water Effects.
In: The Journal of Physical Chemistry A. Bd. 118 (2014) Heft 50 . - S. 11667-11677.
ISSN 1520-5215
DOI: https://doi.org/10.1021/jp5066874

2011

Ivanishko, I. S. ; Beregovaya, I. V. ; Hartmann, Steffen ; Köhler, Werner ; Borovkov, V. I.:
Intrinsic Reaction Parameters for Electron Transfer from Aromatic Radical Anions to Vicinal Dibromoalkanes in Alkane Solutions.
In: The Journal of Physical Chemistry A. Bd. 115 (2011) . - S. 9861-9875.
ISSN 1520-5215
DOI: https://doi.org/10.1021/jp2040828

2004

Kador, Lothar ; Bausinger, R. ; Leopold, André ; Haarer, Dietrich ; Köhler, Werner:
Relaxation Dynamics of Cascaded Linear Processes.
In: The Journal of Physical Chemistry A. Bd. 108 (2004) . - S. 1640-1643.
ISSN 1520-5215
DOI: https://doi.org/10.1021/jp030963v

2001

Steffen, P. ; Wurlitzer, S. ; Fischer, Thomas M.:
Hydrodynamics of Shape Relaxation in Viscous Langmuir Monolayer Domains.
In: The Journal of Physical Chemistry A. Bd. 105 (2001) Heft 36 . - S. 8281-8283.
ISSN 1520-5215
DOI: https://doi.org/10.1021/jp011787y

1998

Frenzel, A. ; Scheer, Volker ; Sikorski, R. ; George, Christian ; Behnke, Wolfgang ; Zetzsch, Cornelius:
Heterogeneous Interconversion Reactions of BrNO₂, ClNO₂, Br₂, and C₁₂.
In: The Journal of Physical Chemistry A. Bd. 102 (1998) Heft 8 . - S. 1329-1337.
ISSN 1520-5215
DOI: https://doi.org/10.1021/jp973044b

Kador, Lothar:
Line Width Distributions in Single-Molecule Spectroscopy Due to Optical Saturation.
In: The Journal of Physical Chemistry A. Bd. 102 (1998) Heft 48 . - S. 9745-9749.
ISSN 1520-5215
DOI: https://doi.org/10.1021/jp981372l

1997

Bohn, Birger ; Zetzsch, Cornelius:
Rate Constants of HO2 + NO Covering Atmospheric Conditions. 1. HO2 Formed by OH + H2O2.
In: The Journal of Physical Chemistry A. Bd. 101 (1997) Heft 8 . - S. 1488-1493.
ISSN 1520-5215
DOI: https://doi.org/10.1021/jp961396x

Scheer, Volker ; Frenzel, Andreas ; Behnke, Wolfgang ; Zetzsch, Cornelius ; Magi, Laurent ; George, Christian ; Mirabel, Philippe:
Uptake of nitrosyl chloride (NOCl) by aqueous solutions.
In: The Journal of Physical Chemistry A. Bd. 101 (1997) Heft 49 . - S. 9359-9366.
ISSN 1520-5215
DOI: https://doi.org/10.1021/jp972143m

1994

George, Christian ; Ponche, Jean-Luc ; Mirabel, Philippe ; Behnke, Wolfgang ; Scheer, Volker ; Zetzsch, Cornelius:
Study of the uptake of N2O5 by water and NaCl solutions.
In: The Journal of Physical Chemistry A. Bd. 98 (1994) Heft 35 . - S. 8780-8784.
ISSN 1520-5215
DOI: https://doi.org/10.1021/j100086a031