Jiaqi Zhou, Lu Wu, Michal Belina, Anna D. Skitnevskaya, Shaokui Jia, Xiaorui Xue, Xintai Hao, Qingrui Zeng, Qibo Ma, Yongtao Zhao, Xiaokai Li, Lanhai He, Sizuo Luo, Dongdong Zhang, Chuncheng Wang, Alexander B. Trofimov, Petr Slavíček, Dajun Ding and Xueguang Ren

Nat Commun, 2025, 16
DOI: 10.1038/s41467-025-61305-z

Water Radical Cations in the Gas Phase: Methods and Mechanisms of Formation, Structure and Chemical Properties

Dongbo Mi and Konstantin Chingin

Molecules, 2020, 25, 3490
DOI: 10.3390/molecules25153490

Ionization-induced proton and energy transfer in liquid water

Ludger Inhester, Arturo Sopena Moros, Sam Macé, Caroline Arnold and Robin Santra

The Journal of Chemical Physics, 2025, 162
DOI: 10.1063/5.0258328

Relaxation of the 2a1 ionized water dimer: An interplay of intermolecular Coulombic decay (ICD) and proton transfer processes

Ravi Kumar, Aryya Ghosh and Nayana Vaval

The Journal of Chemical Physics, 2024, 160
DOI: 10.1063/5.0199888

Interatomic and intermolecular Coulombic decay: the coming of age story

T Jahnke

J. Phys. B: At. Mol. Opt. Phys., 2015, 48, 082001
DOI: 10.1088/0953-4075/48/8/082001

Direct ab initio molecular dynamics study on the reactions of multi-valence ionized states of water dimer

Tomoya Takada and Hiroto Tachikawa

J. Phys. B: At. Mol. Opt. Phys., 2021, 54, 145103
DOI: 10.1088/1361-6455/ac170b

Dissociative Photoionization of Diethyl Ether

Krisztina Voronova, Chrissa M. Mozaffari Easter, Kyle J. Covert, Andras Bodi, Patrick Hemberger and Bálint Sztáray

J. Phys. Chem. A, 2015, 119, 10654
DOI: 10.1021/acs.jpca.5b08091

Photochemistry of Amylene Double Bond in Clusters on Free Argon Nanoparticles

Andriy Pysanenko, Francisco Gámez, Michal Fárník, Jan Chalabala and Petr Slavíček

J. Phys. Chem. A, 2020, 124, 3038
DOI: 10.1021/acs.jpca.0c00860

Evidence for the co-existence of isomers of water dimer radical cations and their inter-conversion in a linear ion trap

Xinglei Zhang, Yunpeng Zhang, Xin Zhou, Junqiang Xu and Dongbo Mi

Heliyon, 2023, 9, e17763
DOI: 10.1016/j.heliyon.2023.e17763

Proton-transfer dynamics in ionized water chains using real-time time-dependent density functional theory

Vidushi Sharma and Marivi Fernández-Serra

Phys. Rev. Research, 2020, 2
DOI: 10.1103/PhysRevResearch.2.043082

Bimolecular reactions on sticky and slippery clusters: Electron-induced reactions of hydrogen peroxide

Jan Poštulka, Petr Slavíček, Andriy Pysanenko, Viktoriya Poterya and Michal Fárník

The Journal of Chemical Physics, 2022, 156
DOI: 10.1063/5.0079283

Energy and charge transfer in ionized argon coated water clusters

J. Kočišek, J. Lengyel, M. Fárník and P. Slavíček

The Journal of Chemical Physics, 2013, 139
DOI: 10.1063/1.4834715

Magic Numbers and Stabilities of Photoionized Water Clusters: Computational and Experimental Characterization of the Nanosolvated Hydronium Ion

Cameron J. Mackie, Wenchao Lu, Jiashu Liang, Oleg Kostko, Biswajit Bandyopadhyay, Ishan Gupta, Musahid Ahmed and Martin Head-Gordon

J. Phys. Chem. A, 2023, 127, 5999
DOI: 10.1021/acs.jpca.3c02230

Fragmentation of HCl–water clusters upon ionization: Non-adiabatic ab initio dynamics study

Daniel Hollas, Ondřej Svoboda and Petr Slavíček

Chemical Physics Letters, 2015, 622, 80
DOI: 10.1016/j.cplett.2015.01.019

TDDFT investigation of excitation of water tetramer under femtosecond laser pulse irradiation

Zhiping Wang, Xuefen Xu, Fengshou Zhang and Chaoyi Qian

Int. J. Mod. Phys. B, 2018, 32, 1850113
DOI: 10.1142/S0217979218501138

Selecting Initial Conditions for Trajectory-Based Nonadiabatic Simulations

Jiří Janoš, Petr Slavíček and Basile F. E. Curchod

Acc. Chem. Res., 2025, 58, 261
DOI: 10.1021/acs.accounts.4c00687

Extensive water cluster fragmentation after low energy electron ionization

Jozef Lengyel, Andriy Pysanenko, Viktoriya Poterya, Jaroslav Kočišek and Michal Fárník

Chemical Physics Letters, 2014, 612, 256
DOI: 10.1016/j.cplett.2014.08.038

Hemibonding between Water Cation and Water

Daniel M. Chipman

J. Phys. Chem. A, 2016, 120, 9618
DOI: 10.1021/acs.jpca.6b09905

Proton transfer dynamics following strong-field ionization of the water dimer

C. Zhang, J. Lu, T. Feng and H. Rottke

Phys. Rev. A, 2019, 99
DOI: 10.1103/PhysRevA.99.053408

Electronic transitions in Rb2+ dimers solvated in helium

Simon Albertini, Paul Martini, Arne Schiller, Harald Schöbel, Elham Ghavidel, Milan Ončák, Olof Echt and Paul Scheier

Theor Chem Acc, 2021, 140
DOI: 10.1007/s00214-021-02728-x

Ab initio photodynamics of model EUV photoresists

Jan Chalabala, Ondřej Dvořák and Petr Slavíček

Chemical Physics, 2018, 515, 221
DOI: 10.1016/j.chemphys.2018.06.009

Real-time observation of water radiolysis and hydrated electron formation induced by extreme-ultraviolet pulses

Vít Svoboda, Rupert Michiels, Aaron C. LaForge, Jakub Med, Frank Stienkemeier, Petr Slavíček and Hans Jakob Wörner

Sci. Adv., 2020, 6
DOI: 10.1126/sciadv.aaz0385

Evolution Path of Nitrogen–Water Cluster Cation: A Computational Study

Sihan Zhang and Zile Zhu

J. Phys. Chem. A, 2025, 129, 6798
DOI: 10.1021/acs.jpca.5c02820

Electron-induced fragmentation of water droplets: Simulation study

Jiří Suchan, Jiří Kolafa and Petr Slavíček

The Journal of Chemical Physics, 2022, 156
DOI: 10.1063/5.0088591

Assessment of Real-Time Time-Dependent Density Functional Theory (RT-TDDFT) in Radiation Chemistry: Ionized Water Dimer

Jan Chalabala, Frank Uhlig and Petr Slavíček

J. Phys. Chem. A, 2018, 122, 3227
DOI: 10.1021/acs.jpca.8b01259

Ultrafast nonadiabatic dynamics of a water dimer in femtosecond laser pulses

Z P Wang, P M Dinh, P G Reinhard and E Suraud

Laser Phys., 2014, 24, 106004
DOI: 10.1088/1054-660X/24/10/106004

An efficient approximate algorithm for nonadiabatic molecular dynamics

Kota Hanasaki, Manabu Kanno, Thomas A. Niehaus and Hirohiko Kono

The Journal of Chemical Physics, 2018, 149
DOI: 10.1063/1.5046757

The role of metal ions in X-ray-induced photochemistry

V. Stumpf, K. Gokhberg and L. S. Cederbaum

Nature Chem, 2016, 8, 237
DOI: 10.1038/nchem.2429

Reaction Pathways of Water Dimer Following Single Ionization

Ivo S. Vinklárek, Hubertus Bromberger, Nidin Vadassery, Wuwei Jin, Jochen Küpper and Sebastian Trippel

J. Phys. Chem. A, 2024, 128, 1593
DOI: 10.1021/acs.jpca.3c07958

Microhydration Effects on Hemibonds in [H2O–X]+–(H2O)n (X = O2 and CS2; n = 0–2): Infrared Spectroscopic Characterization toward Understanding Charge-Resonance Interactions in Aqueous Environments

Tatsuki Hosoda and Asuka Fujii

J. Phys. Chem. Lett., 2026, 17, 3870
DOI: 10.1021/acs.jpclett.6c00621

Biomolecule Analogues 2-Hydroxypyridine and 2-Pyridone Base Pairing on Ice Nanoparticles

Peter Rubovič, Andriy Pysanenko, Jozef Lengyel, Dana Nachtigallová and Michal Fárník

J. Phys. Chem. A, 2016, 120, 4720
DOI: 10.1021/acs.jpca.5b11359

The high pressure dependence of x-ray induced decomposition of cadmium oxalate

Adrian F. Lua Sanchez, Petrika Cifligu, Marc Graff, Michael Pravica, Pradip K. Bhowmik, Changyong Park and Egor Evlyukhin

AIP Advances, 2023, 13
DOI: 10.1063/5.0168449

Structural Progression in Clusters of Ionized Water, (H2O)n=1–5+

Jonathan D. Herr, Justin Talbot and Ryan P. Steele

J. Phys. Chem. A, 2015, 119, 752
DOI: 10.1021/jp509698y

Competition between proton transfer and intermolecular Coulombic decay in water

Clemens Richter, Daniel Hollas, Clara-Magdalena Saak, Marko Förstel, Tsveta Miteva, Melanie Mucke, Olle Björneholm, Nicolas Sisourat, Petr Slavíček and Uwe Hergenhahn

Nat Commun, 2018, 9
DOI: 10.1038/s41467-018-07501-6

Photodissociation studies on (H2O) n +(n=2–5) clusters at 308 nm

Yunxiao Zhao, Gaoming Hu, Youqing Li, Yang Chen and Dongfeng Zhao

Chinese Journal of Chemical Physics, 2024, 37, 279
DOI: 10.1063/1674-0068/cjcp2310103

Oxidation of oxalic acid on boron-doped diamond electrode in acidic solutions

Anna Ignaczak, Elizabeth Santos, Wolfgang Schmickler and Tamires Ferreira da Costa

Journal of Electroanalytical Chemistry, 2018, 819, 410
DOI: 10.1016/j.jelechem.2017.11.036

Infrared Spectroscopy of [H2O–N2O]+-(H2O)n (n = 1 and 2): Microhydration Effects on the Hemibond

Tatsuki Hosoda, Mizuhiro Kominato and Asuka Fujii

J. Phys. Chem. A, 2025, 129, 2896
DOI: 10.1021/acs.jpca.5c00428

Infrared Spectroscopy and Anharmonic Vibrational Analysis of (H2O–Krn)+ (n = 1–3): Hemibond Formation of the Water Radical Cation

Jing-Min Liu, Tomoki Nishigori, Toshihiko Maeyama, Qian-Rui Huang, Marusu Katada, Jer-Lai Kuo and Asuka Fujii

J. Phys. Chem. Lett., 2021, 12, 7997
DOI: 10.1021/acs.jpclett.1c02164

Response of the hydrogen bond network to the ionization of bulk water: ab initio molecular dynamic simulations using H2S(aq)

Liang-Chun Lin, Jer-Ming Liang, En-Ping Lu and Ming-Kang Tsai

Chemical Physics Letters, 2015, 630, 62
DOI: 10.1016/j.cplett.2015.04.034

Collision dynamics of proton to water dimer at 250 eV

Zhiping Wang, Fengshou Zhang, Xuefeng Xu, Yanbiao Wang and Chaoyi Qian

Mod. Phys. Lett. B, 2019, 33, 1950257
DOI: 10.1142/S0217984919502579

Interatomic and Intermolecular Coulombic Decay

Till Jahnke, Uwe Hergenhahn, Bernd Winter, Reinhard Dörner, Ulrike Frühling, Philipp V. Demekhin, Kirill Gokhberg, Lorenz S. Cederbaum, Arno Ehresmann, André Knie and Andreas Dreuw

Chem. Rev., 2020, 120, 11295
DOI: 10.1021/acs.chemrev.0c00106

Direct tracking of ultrafast proton transfer in water dimers

Kirsten Schnorr, Michal Belina, Sven Augustin, Hannes Lindenblatt, Yifan Liu, Severin Meister, Thomas Pfeifer, Georg Schmid, Rolf Treusch, Florian Trost, Petr Slavíček and Robert Moshammer

Sci. Adv., 2023, 9
DOI: 10.1126/sciadv.adg7864