A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes

JOURNAL ARTICLE published 3 April 2023 in ChemPhysChem

Research funded by RWTH Aachen University (rwth0631)

Authors: Lukas Krep | Felix Schmalz | Florian Solbach | Leonid Komissarov | Thomas Nevolianis | Wassja A. Kopp | Toon Verstraelen | Kai Leonhard

Front Cover: Experimental and Theoretical Structure Elucidation of the [2 : 1] Complex Ion of Carbo[n]helicene with n=6, 7 and 8 and Ag⁺ (ChemPhysChem 21/2023)

JOURNAL ARTICLE published 2 November 2023 in ChemPhysChem

Authors: Johannes Oschwald | David Reger | Stefan Frühwald | Vera Warmbrunn | Andreas Görling | Norbert Jux | Thomas Drewello

Elucidation of the CO‐Release Kinetics of CORM‐A1 by Means of Vibrational Spectroscopy

JOURNAL ARTICLE published 4 April 2016 in ChemPhysChem

Research funded by BMBF (FKZ 01EO1502)

Authors: Moritz Klein | Ute Neugebauer | Michael Schmitt | Jürgen Popp

Acetyl Methyl Torsion in N‐Ethylacetamide: A Challenge for Microwave Spectroscopy and Quantum Chemistry

JOURNAL ARTICLE published 22 June 2015 in ChemPhysChem

Authors: Raphaela Kannengießer | Marcel J. Lach | Wolfgang Stahl | Ha Vinh Lam Nguyen

Fluorescence Quenching by Oxygen: “Debunking” a Classic Rule

JOURNAL ARTICLE published 15 March 2010 in ChemPhysChem

Authors: Franco M. Cabrerizo | Jacob Arnbjerg | M. Paula Denofrio | Rosa Erra‐Balsells | Peter R. Ogilby

Effect of Bin Time on the Photon Counting Histogram for One‐Photon Excitation

JOURNAL ARTICLE published 13 May 2005 in ChemPhysChem

Authors: Thomas D. Perroud | Bo Huang | Richard N. Zare

Ligand Dynamics in Myoglobin: Calculation of Infrared Spectra for Photodissociated NO

JOURNAL ARTICLE published 19 November 2004 in ChemPhysChem

Authors: David R. Nutt | Markus Meuwly

Myoglobin, a Paradigm in the Study of Protein Dynamics

JOURNAL ARTICLE published 15 March 2002 in ChemPhysChem

Authors: Fritz G. Parak | G. Ulrich Nienhaus

Inhibitory Mechanism of Epigallocatechin Gallate on Fibrillation and Aggregation of Amidated Human Islet Amyloid Polypeptide

JOURNAL ARTICLE published 20 June 2017 in ChemPhysChem

Research funded by National Natural Science Foundation of China (81374032,21573044)

Authors: Zhi‐Xue Xu | Gong‐Li Ma | Qiang Zhang | Cong‐Heng Chen | Yan‐Ming He | Li‐Hui Xu | Guang‐Rong Zhou | Zhen‐Hua Li | Hong‐Jie Yang | Ping Zhou

Quantum Chemistry in Solution: Fiftieth Anniversary

JOURNAL ARTICLE published August 2023 in ChemPhysChem

Authors: Manuel F. Ruiz‐López | Jean‐Louis Rivail

Front Cover: Dissociation of N₂ on a Si(111)‐7x7 Surface at Room Temperature (ChemPhysChem 15/2023)

JOURNAL ARTICLE published August 2023 in ChemPhysChem

Authors: Elie Geagea | Ali Hamadeh | Judicaël Jeannoutot | Frank Palmino | Nicolas Breault | Alain Rochefort | Samar Hajjar‐Garreau | Carmelo Pirri | Christophe M. Thomas | Frédéric Chérioux

Theoretical Design of an Mo_xW_1‐xS₂/Graphene (x=0.25/0.75) Heterojunction with Adjustable Band Gap: Potential Candidate Materials for the Next Generation of Optoelectronic Devices

JOURNAL ARTICLE published 3 July 2023 in ChemPhysChem

Authors: Jinglong Chen | Zhonghao Zhou | Zhi Li | Zhiyong Wang

Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods

JOURNAL ARTICLE published March 2023 in ChemPhysChem

Authors: Greta Jacobson | Juan M. Marmolejo‐Tejada | Martín A. Mosquera

Comparison of the Ability of N‐Bases to Engage in Noncovalent Bonds

JOURNAL ARTICLE published August 2023 in ChemPhysChem

Research funded by National Science Foundation (1954310)

Authors: Akhtam Amonov | Steve Scheiner

Photochemical Reaction Mechanism of Intramolecular H Transfer Reaction of H₂C₃O⁺⋅ Radical Cation

JOURNAL ARTICLE published 3 July 2023 in ChemPhysChem

Authors: Joonghan Kim | Dakyeung Oh | Eunji Park | Jeongmin Park | Jungyoon Kim | Jeong Sik Lim

Micro‐ and Nanoscale Heterogeneities in Zeolite Beta as Measured by Atom Probe Tomography and Confocal Fluorescence Microscopy

JOURNAL ARTICLE published 3 July 2023 in ChemPhysChem

Authors: Sophie H. van Vreeswijk | Luke A. Parker | J. J. Erik Maris | Jonathan D. Poplawsky | Bert M. Weckhuysen

Inorganic Bergman Cyclization: An Appeal From Theory

JOURNAL ARTICLE published March 2023 in ChemPhysChem

Authors: Chayanika Kashyap | Siddhartha K. Purkayastha | Shahnaz S. Rohman | Ankur K. Guha

Slicing Diamond for More sp³ Group 14 Allotropes Ranging from Direct Bandgaps to Poor Metals

JOURNAL ARTICLE published 5 August 2017 in ChemPhysChem

Research funded by Bayerisches Staatsministerium für Wissenschaft, Forschung und Kunst (Solar Technologies go Hybrid)

Authors: Laura‐Alice Jantke | Antti J. Karttunen | Thomas F. Fässler

A New Small‐Molecule Donor Containing Non‐Fused Ring π‐Bridge Enables Efficient Organic Solar Cells with High Open Circuit Voltage and Low Acceptor Content

JOURNAL ARTICLE published 16 October 2019 in ChemPhysChem

Research funded by National Natural Science Foundation of China (51573120,51773142,21502134)

Authors: Kun Wang | Xia Guo | Chennan Ye | Yulong Wang | Yuan Meng | Xiaojie Li | Maojie Zhang

Tuning the Properties of Tetracene‐Based Nanoribbons by Fluorination and N‐Doping

JOURNAL ARTICLE published 5 November 2019 in ChemPhysChem

Research funded by National Natural Science Foundation of China (NSFC-21573008,-21773003)

Authors: Umer Younis | Imran Muhammad | Yoshiyuki Kawazoe | Qiang Sun