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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| Metal-nanocluster science and technology: my personal history and outlook
Yuichi Negishi Phys. Chem. Chem. Phys., 2022, 24, 7569 DOI:10.1039/D1CP05689A |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
