PCCP Cover Gallery 2022

 

Issue 18

Detection of remote proton–nitrogen correlations by 1H-detected 14N overtone solid-state NMR at fast MAS

Nghia Tuan Duong and Yusuke Nishiyama

Phys. Chem. Chem. Phys., 2022, 24, 10717 DOI:10.1039/D2CP00155A

Structure of water-in-salt and water-in-bisalt electrolytes

Miguel Angel González, Hiroshi Akiba, Oleg Borodin, Gabriel Julio Cuello, Louis Hennet, Shinji Kohara, Edward J. Maginn, Lucile Mangin-Thro, Osamu Yamamuro, Yong Zhang, David L. Price and Marie-Louise Saboungi

Phys. Chem. Chem. Phys., 2022, 24, 10727 DOI:10.1039/D2CP00537A

Excited state dynamics of protonated dopamine: hydration and conformation effects

Keisuke Hirata, Ken-Ichi Kasai, Koki Yoshizawa, Gilles Grégoire, Shun-Ichi Ishiuchi and Masaaki Fujii

Phys. Chem. Chem. Phys., 2022, 24, 10737 DOI:10.1039/D2CP00543C

 

 

Issue 17

Evaluation of interfacial misfit strain field of heterostructures using STEM nano secondary moiré method

Yao Zhao, Yang Yang, Huihui Wen, Chao Liu, Xianfu Huang and Zhanwei Liu

Phys. Chem. Chem. Phys., 2022, 24, 9848 DOI:10.1039/D1CP05891F

Probing the electronic and ionic transport in topologically distinct redox-active metal–organic frameworks in aqueous electrolytes

Cheng-Hui Shen, Yu-Hsiu Chen, Yi-Ching Wang, Tzu-En Chang, You-Liang Chen and Chung-Wei Kung

Phys. Chem. Chem. Phys., 2022, 24, 9855 DOI:10.1039/D2CP00117A

Post-doping induced morphology evolution boosts Mn2+ luminescence in the Cs2NaBiCl6:Mn2+ phosphor

Shuangqiang Fang, Ting Wang, Shuangshuang He, Tao Han, Mingsheng Cai, Bitao Liu, Vladimir I. Korepanov and Tianchun Lang

Phys. Chem. Chem. Phys., 2022, 24, 9866 DOI:10.1039/D1CP05903C

Issue 16

Surface electronic corrugation of a one-dimensional topological metal: Bi(114)

Stephan J. Schmutzler, Adrian Ruckhofer, Wolfgang E. Ernst and Anton Tamtögl

Phys. Chem. Chem. Phys., 2022, 24, 9146 DOI:10.1039/D1CP05284E

Issue 15

Simple and efficient visualization of aromaticity: bond currents calculated from NICS values

Eno Paenurk and Renana Gershoni-Poranne

Phys. Chem. Chem. Phys., 2022, 24, 8631 DOI:10.1039/D1CP05757J

Issue 14

Photoelectron circular dichroism in angle-resolved photoemission from liquid fenchone

Marvin N. Pohl, Sebastian Malerz, Florian Trinter, Chin Lee, Claudia Kolbeck, Iain Wilkinson, Stephan Thürmer, Daniel M. Neumark, Laurent Nahon, Ivan Powis, Gerard Meijer, Bernd Winter and Uwe Hergenhahn

Phys. Chem. Chem. Phys., 2022, 24, 8081 DOI:10.1039/D1CP05748K

Issue 13

Metal-nanocluster science and technology: my personal history and outlook

Yuichi Negishi

Phys. Chem. Chem. Phys., 2022, 24, 7569 DOI:10.1039/D1CP05689A

Issue 12

Formation of protonated water–hydrogen clusters in an ion trap mass spectrometer at room temperature

Dongbo Mi, Junqiang Xu, Yunpeng Zhang, Tenggao Zhu, Jiewen Ouyang, Xiaofeng Dong and Konstantin Chingin

Phys. Chem. Chem. Phys., 2022, 24, 7180 DOI:10.1039/D1CP04516D

Issue 11

Photoelectron elliptical dichroism spectroscopy of resonance-enhanced multiphoton ionization via the 3s, 3p and 3d Rydberg series in fenchone

Sandra Beauvarlet, Etienne Bloch, Debobrata Rajak, Dominique Descamps, Baptiste Fabre, Stéphane Petit, Bernard Pons, Yann Mairesse and Valérie Blanchet

Phys. Chem. Chem. Phys., 2022, 24, 6415 DOI:10.1039/D1CP05618B

 

Issue 10

Gas phase protonated nicotine is a mixture of pyridine- and pyrrolidine-protonated conformers: implications for its native structure in the nicotinic acetylcholine receptor

Naoya Takeda, Keisuke Hirata, Kazuya Tsuruta, Garrett D. Santis, Sotiris S. Xantheas, Shun-ichi Ishiuchi and Masaaki Fujii

Phys. Chem. Chem. Phys., 2022, 24, 5786 DOI:10.1039/D1CP05175J

Issue 9

Transfer learned potential energy surfaces: accurate anharmonic vibrational dynamics and dissociation energies for the formic acid monomer and dimer

Silvan Käser and Markus Meuwly

Phys. Chem. Chem. Phys., 2022, 24, 5269 DOI:10.1039/D1CP04393E

Issue 8

Physical aging in aqueous nematic gels of a swelling nanoclay: sol (phase) to gel (state) transition

Mohammad Shoaib, Nahid Molaei and Erin R. Bobicki

Phys. Chem. Chem. Phys., 2022, 24, 4703 DOI:10.1039/D1CP03399A

Issue 7

Revealing scenarios of interzeolite conversion from FAU to AEI through the variation of starting materials

Zhendong Liu, Anand Chokkalingam, Shoko Miyagi, Masato Yoshioka, Tomoya Ishikawa, Hiroki Yamada, Koji Ohara, Nao Tsunoji, Yusuke Naraki, Tsuneji Sano, Tatsuya Okubo and Toru Wakihara

Phys. Chem. Chem. Phys., 2022, 24, 4136 DOI:10.1039/D1CP03751J

There is still plenty of room for layer-by-layer assembly for constructing nanoarchitectonics-based materials and devices

Katsuhiko Ariga, Yuri Lvov and Gero Decher

Phys. Chem. Chem. Phys., 2022, 24, 4097 DOI:10.1039/D1CP04669A

The universal relationship between sample dimensions and cooperative phenomena: effects of fractal dimension on the electronic properties of high-TC cuprate observed using electron spin resonance

Toshio Naito and Yoshiaki Fukuda

Phys. Chem. Chem. Phys., 2022, 24, 4147 DOI:10.1039/D1CP04709D

Issue 6

Threshold photoelectron spectroscopy of 9-methyladenine: theory and experiment

K. Laamiri, G. A. Garcia, L. Nahon, A. Ben Houria, R. Feifel and M. Hochlaf

Phys. Chem. Chem. Phys., 2022, 24, 3523 DOI:10.1039/D1CP03729C

Natural reaction orbitals for characterizing electron transfer responsive to nuclear coordinate displacement

Shuichi Ebisawa, Masatoshi Hasebe, Takuro Tsutsumi, Takao Tsuneda and Tetsuya Taketsugu

Phys. Chem. Chem. Phys., 2022, 24, 3532 DOI:10.1039/D1CP04491E

Unleashing the shape of L-DOPA at last

Miguel Sanz-Novo, Iker León, Elena R. Alonso and José L. Alonso

Phys. Chem. Chem. Phys., 2022, 24, 3546 DOI:10.1039/D1CP05066D

Issue 5

Interaction of nanoparticles with lipid films: the role of symmetry and shape anisotropy

Lucrezia Caselli, Andrea Ridolfi, Gaetano Mangiapia, Pierfrancesco Maltoni, Jean-François Moulin, Debora Berti, Nina-Juliane Steinke, Emil Gustafsson, Tommy Nylander and Costanza Montis

Phys. Chem. Chem. Phys., 2022, 24, 2762 DOI:10.1039/D1CP03201A

Pulsed-ramped-field-ionization zero-kinetic-energy photoelectron spectroscopy: a methodological advance

Oliver J. Harper, Ning L. Chen, Séverine Boyé-Péronne and Bérenger Gans

Phys. Chem. Chem. Phys., 2022, 24, 2777 DOI:10.1039/D1CP04569E

Progress towards machine learning reaction rate constants

Evan Komp, Nida Janulaitis and Stéphanie Valleau

Phys. Chem. Chem. Phys., 2022, 24, 2692 DOI:10.1039/D1CP04422B

Issue 4

Unveiling the role of pyrylium frameworks on π-stacking interactions: a combined ab initio and experimental study

Reyes Núñez-Franco, Gonzalo Jiménez-Osés, Jesús Jiménez-Barbero, Francisca Cabrera-Escribano and Antonio Franconetti

Phys. Chem. Chem. Phys., 2022, 24, 1965 DOI:10.1039/D1CP02622D

Can the local electric field be a descriptor of catalytic activity? A case study on chorismate mutase

Shakir Ali Siddiqui and Kshatresh Dutta Dubey

Phys. Chem. Chem. Phys., 2022, 24, 1974 DOI:10.1039/D1CP03978D

Intrachain photophysics of a donor–acceptor copolymer

Hak-Won Nho, Won-Woo Park, Byongkyu Lee, Seoyoung Kim, Changduk Yang and Oh-Hoon Kwon

Phys. Chem. Chem. Phys., 2022, 24, 1982 DOI:10.1039/D1CP04093F

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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