PCCP Cover Gallery 2022


Issue 3

Quantitative electronic structure and work-function changes of liquid water induced by solute

Bruno Credidio, Michele Pugini, Sebastian Malerz, Florian Trinter, Uwe Hergenhahn, Iain Wilkinson, Stephan Thürmer and Bernd Winter

Phys. Chem. Chem. Phys., 2022, 24, 1310 DOI:10.1039/D1CP03165A

Building quantum mechanics quality force fields of proteins with the generalized energy-based fragmentation approach and machine learning

Zheng Cheng, Jiahui Du, Lei Zhang, Jing Ma, Wei Li and Shuhua Li

Phys. Chem. Chem. Phys., 2022, 24, 1326 DOI:10.1039/D1CP03934B

The electron attachment effect on the structure and properties of ortho-hydroxyaryl Schiff and Mannich bases – the hydrogen/proton transfer processes

Jerzy J. Jański, Szczepan Roszak, Kazimierz Orzechowski and Lucjan Sobczyk

Phys. Chem. Chem. Phys., 2022, 24, 1338 DOI:10.1039/D1CP03723D




Issue 2

Questioning the orbital picture of magnetic spin coupling: a real space alternative

A. Martín Pendás and E. Francisco

Phys. Chem. Chem. Phys., 2022, 24, 639 DOI:10.1039/D1CP03485E

Terahertz pump–probe of liquid water at 12.3 THz

Fabio Novelli, Claudius Hoberg, Ellen M. Adams, J. Michael Klopf and Martina Havenith

Phys. Chem. Chem. Phys., 2022, 24, 653 DOI:10.1039/D1CP03207K

Spectroscopic analysis focusing on ionic liquid/metal electrode and organic semiconductor interfaces in an electrochemical environment

Ichiro Tanabe

Phys. Chem. Chem. Phys., 2022, 24, 615 DOI:10.1039/D1CP04094D

Collective dynamics of molecular rotors in periodic mesoporous organosilica: a combined solid-state 2H-NMR and molecular dynamics simulation study

Antonio De Nicola, Andrea Correa, Silvia Bracco, Jacopo Perego, Piero Sozzani, Angiolina Comotti and Giuseppe Milano

Phys. Chem. Chem. Phys., 2022, 24, 666 DOI:10.1039/D1CP05013C

Issue 1

Facet-dependent CO2 reduction reactions on kesterite Cu2ZnSnS4 photo-electro-integrated electrodes

Ruifen Zhang, Xin Wen, Hongliang Peng, Yongpeng Xia, Fen Xu and Lixian Sun

Phys. Chem. Chem. Phys., 2022, 24, 48 DOI:10.1039/D1CP03595A

Dielectric properties of ice VII under the influence of time-alternating external electric fields

Zdenek Futera and Niall J. English

Phys. Chem. Chem. Phys., 2022, 24, 56 DOI:10.1039/D1CP04165G

Real-time observation of photoionization-induced water migration dynamics in 4-methylformanilide–water by picosecond time-resolved infrared spectroscopy and ab initio molecular dynamics simulations

Mitsuhiko Miyazaki, Tairiku Kamiya, Matthias Wohlgemuth, Kuntal Chatterjee, Roland Mitrić, Otto Dopfer and Masaaki Fujii

Phys. Chem. Chem. Phys., 2022, 24, 73 DOI:10.1039/D1CP03327A

Raman tensor of zinc-phosphide (Zn3P2): from polarization measurements to simulation of Raman spectra

Mischa Flór, Elias Z. Stutz, Santhanu P. Ramanandan, Mahdi Zamani, Rajrupa Paul, Jean-Baptiste Leran, Alexander P. Litvinchuk, Anna Fontcuberta i Morral and Mirjana Dimitrievska

Phys. Chem. Chem. Phys., 2022, 24, 63 DOI:10.1039/D1CP04322F

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