Publications

• Attosecond formation of charge-transfer-to-solvent states of aqueous ions probed using the core-hole-clock technique. E. Muchová*, G. Gopakumar, I. Unger, G. Öhrwall, D. Céolin, F. Trinter, I. Wilkinson, E. Chatzigeorgiou, P. Slavíček, U. Hergenhahn, B. Winter, C. Caleman, O. Björneholm, 2024, Nat. Comm. 15 (2024) 8903 https://www.nature.com/articles/s41467-024-52740-5
• Deconvolution of the X-ray absorption spectrum of trans-1,3-butadiene with resonant Auger spectroscopy D. M. P. Holland, J. Suchan, J. Janoš, C. Bacellar, L. Leroy, T. R. Barillot, L. Longetti, M. de Simone, C. Grazioli, M. Chergui, E. Muchová*, R. A. Ingle, 2024, https://doi.org/10.1039/D4CP00053F
• Oxygen Radicals Entrapped between MgO Nanocrystals: Formation, Spectroscopic Fingerprints, and Reactivity toward Water. T. Schwab, E. Muchová, K. Aicher, T. Berger, M. Ončák, O. Diwald, J. Chem. Phys. C 127 (2023) 23332–23339, https://pubs.acs.org/doi/full/10.1021/acs.jpcc.3c06091.
• Radiation damage by extensive local water ionization from two-step electron transfer mediated decay of solvated ions. G. Gopakumar, I. Unger, P. Slavíček, U. Hergenhahn, G. Öhrwall, S. Malerz, D. Céolin, F. Trinter, B. Winter, I. Wilkinson, C. Caleman, E. Muchová, O. Björneholm,Nat. Chem. 15 (2023) 1408–1414; associated contentResearch Briefing.
• Inner-Shell Photofragmentation of Adamantane (C10H16). S. Ganguly, M. Gisselbrecht, P. Eng-Johnsson, R. Feifel, S. Díaz-Tendero, E. Muchová, A. R. Milosavljević, P. Rousseau, S. Maclot, Molecules 28 (2023) 5510, https://doi.org/10.3390/molecules28145510.
• Spin–Vibronic Control of Intersystem Crossing in Iodine-Substituted Heptamethine Cyanines. R. Tovtik, E. Muchová, L. Štacková P. Slavíček, P. Klán, J. Org. Chem. 88 (2023) 6716–6728, doi: doi.org/10.1021/acs.joc.3c00005.
• Jahn–Teller effects in initial and final states: high-resolution X-ray absorption, photoelectron and Auger spectroscopy of allene. E. Muchová, D. Hollas, D. M. P. Holland, C. Bacellar, L. Leroy, T. R. Barillot, L. Longetti, M. Coreno, M. de Simone, C. Grazioli, M Chergui, R. A. Ingle, Phys. Chem. Chem. Phys, 25 (2023) 6733-6745, doi: 10.1039/d2cp05299.
• Observation of Intermolecular Coulombic Decay and Shake-up Satellites in Liquid Ammonia. H. C. Schewe, E. Muchová, M. Belina, T. Buttersack, D. Stemer, R. Seidel, S, Thuermer, P. Slavíček, B. Winter, Struct. Dynamics, 9 (2022) 044901, doi: 10.1063/4.0000151.
• Probing Aqueous Ions with Non-local Auger Relaxation. G. Gopakumar, E. Muchová, I. Unger, S. Malerz, F. Trinter, G. Öhrwall, F. Lipparini, B. Mennucci, D. Céolin, C. Caleman, I. Wilkinson, B. Winter, P. Slavíček, U. Hergenhahn,  O. Björneholm, Phys. Chem. Chem. Phys., 24 (2022) 8661-8671, doi: 10.1039/D2CP00227B.
• Solvation energies of ions with ensemble cluster-continuum approach. L. Tomaník, E. Muchová, P. Slavíček, Phys. Chem. Chem. Phys. 22 (2020) 22357-22368, doi: 10.1039/D0CP02768E.
• Deciphering the Structure–Property Relations in Substituted Heptamethine Cyanines. L. Štacková, E. Muchová, M. Russo, P. Slavíček, P. Štacko, P. Klán, J. Org. Chem. 85 (2020) 9776–9790, doi: 10.1021/acs.joc.0c01104.
• Ionization energies in solution with the QM:QM approach. Z. Tóth, J. Kubečka, E. Muchová, P. Slavíček, Phys. Chem. Chem. Phys. 22 (2020) 10550-10560, doi: 10.1039/C9CP06154A. 
• Do Water’s Electrons Care of Electrolytes? M. N. Pohl, E. Muchová, R. Seidel, H. Ali, Š. Sršeň, I. Wilkinson, B. Winter, P. Slavíček, Chem. Sci., 10 (2019) 848.
• Beyond Koopmans: Electron Binding Energies in Disordered Materials. E. Muchová, P. Slavíček, J. Phys. Condens. Matter. invited review, 31 (2019) 043001.
• Optimal Tuning of Range-Separated Hybrids for Solvated Molecules with TDDFT. M. Rubešová, E. Muchová, P. Slavíček, J. Chem. Theory Comput. 13 (2017) 4972.
• Molecular Dynamics and Metadynamics Simulations of [2 + 2] Photocycloaddition. E. Muchová, M. Bezek, J. Suchan, R. Cibulka, P. Slavíček, Int. J. Quantum Chem. 118 (2018) e25534.
• Observation of Electron-Transfer-Mediated Decay in Aqueous Solution. Unger, R. Seidel, S. Thürmer, M. N. Pohl, E. F. Aziz, L. S. Cederbaum, E. Muchová, P. Slavíček, B. Winter, N. V. Kryzhevoi, Nature Chemistry 9 (2017) 708.
• Photoswitching of Azobenzene-Based Reverse Micelles above and at Subzero Temperatures As Studied by NMR and Molecular Dynamics Simulations. L. Filipová, M. Kohagen, P. Štacko, E. Muchová, P. Slavíček, P. Klán, Langmuir 33 (2017) 2306.
• Modeling Liquid Photoemission Spectra: Path-Integral Molecular Dynamics Combined with Tuned Range-Separated Hybrid Functionals. D. Hollas, E. Muchová, P. Slavíček, J. Chem. Theory Comput. 12 (2016) 5009.
• Nature of CTAB/Water/Chloroform Reverse Micelles at Above- and Subzero Temperatures    Studied by NMR and Molecular Dynamics Simulations. L. Klíčová, E. Muchová, P. Šebej, P. Slavíček, P. Klán, Langmuir 31 (2015) 8284.
• The Ice-Vapor Interface and the Melting Point of Ice I_h for the Polarizable POL3 Water Model. E. Muchová, I. Gladich, S. Picaud, P. N. M. Hoang, M. Roeselová, J. Phys. Chem. A 115 (2011), 5973.
• Glycine in an Electronically Excited State: Ab Initio Electronic Structure and Dynamical Calculations. E. Muchová, P. Slavíček, A.L. Sobolewski, P. Hobza, J. Phys. Chem. A, 111 (2007) 5259.
• Theoretical Study of Photoacidity of HCN: The Effect of Complexation with Water. E. Muchová, D. Nachtigallová, V. Špirko, P. Hobza, Phys. Chem. Chem. Phys. 8 (2006) 4866.
• Hydration-induced changes of structure and vibrational frequencies of methylphosphocholine studied as a model of biomembrane lipids. E. Mrázková, P. Hobza, M. Bohl, D. R. Gauger, W. Pohle, J. Phys. Chem. B 109 (2005) 15126.
• Lipid Hydration: Headgroup CH Moieties are involved in Water Binding. W. Pohle, D. R. Gauger, M. Bohl, E. Mrázková, P. Hobza, Biopolymers 74 (2004) 27.
• Hydration of Sulfo and Methyl Groups in Dimethyl Sulfoxide is accompanied by the Formation of Red-shifted Hydrogen Bonds and Improper Blue-shifted Hydrogen Bonds: An ab Initio Quantum Chemical Study. E. Mrázková, P. Hobza, J. Phys. Chem. A 107 (2003) 103.

Outreach publications

1. Role kationtů v radiačním poškození.  E. Muchová, J. Filgas,  Aldebaran Bulletin 3 (2024).
2. The Limits of the Periodic Table. E. Muchová, P. Slavíček, Chem. Listy 113 (2019) 198.
3. In the Shadow of Electrons: Nuclear Quantum Effects in Chemistry. D. Hollas, E. Muchová, P. Slavíček, Chem. Listy 5 (2016) 349.
4. Some Coul-de-sacs on the Way to Quantum Atom. E. Muchová, P. Slavíček, Chem. Listy 108 (2014) 638.

Book chapters

Nanodiamonds: Behavior in Biological Systems and Emerging Bioapplications I. Řehor, J. Šlegerová, J. Havlík, H. Raabová, J. Hývl, E. Muchová, P. Cígler Carbon Nanomaterials for Biomedical Applications, Book Series: Springer Series in Biomaterials Science and Engineering, 5 (2016) 319-361.

Nanodiamonds as Intracellular Probes for Imaging in Biology and Medicine J. Šlegerová, I. Řehoř, J. Havlík, H. Raabová, E. Muchová, P. Cígler Intracellular Delivery II: Fundamentals and Applications, Edited by: A. Prokop, Y. Iwasaki, A. Harada, A, Book Series: Fundamental Biomedical Technologies 7 (2014) 363-401.