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H

Harald Forbert

ruhr university bochum

27H指数
77论文数
2.4K被引数
收录论文 22
发表时间
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The CP2K Program Package Made Simple
errJournal of Physical Chemistry B
IF2.9
err2026-01-01
err1
PREAI
errIannuzzi, Marcella; Wilhelm, Jan; Stein, Frederick; Bussy, Augustin; Elgabarty, Hossam; Golze, Dorothea; Hehn, Anna-Sophia; Graml, Maximilian; Marek, Stepan; Goekmen, Beliz Sertcan; Schran, Christoph; Forbert, Harald; Khaliullin, Rustam Z.; Kozhevnikov, Anton; Taillefumier, Mathieu; Meli, Rocco; Rybkin, Vladimir V.; Brehm, Martin; Schade, Robert; Schutt, Ole; Pototschnig, Johann V.; Mirhosseini, Hossein; Knuepfer, Andreas; Marx, Dominik; Krack, Matthias; Hutter, Jurg; Kuehne, Thomas D.
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Distinct solvation patterns of OH− versus H3O+ charge defects at electrified gold/water interfaces govern their propertiesOH−与H3O+电荷缺陷在电化学活化金/水界面上的不同溶剂化模式决定了它们的性质
errNature Communications
IF15.7
err2025-09-19
err0
errOAAI
errChanbum Park; Soumya Ghosh; Harald Forbert; Dominik Marx
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Accurate Determination of Isotope Effects on the Dynamics of H-Bond Breaking and Making in Liquid Water精确测定液态水中氢键断裂与形成动力学过程中的同位素效应
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-04-05
err0
PREAI
errMalik, Ravi; Stolte, Nore; Forbert, Harald; Chandra, Amalendu; Marx, Dominik
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On the complex hydrogen-bond network structural dynamics of liquid methanol: Chains, rings, bifurcations, and lifetimes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-02-20
err0
PREAI
errBlach, Sebastian; Forbert, Harald; Marx, Dominik
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Random Sampling Versus Active Learning Algorithms for Machine Learning Potentials of Quantum Liquid Water
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-14
err0
errOAAI
errStolte, Nore; Daru, Janos; Forbert, Harald; Marx, Dominik; Behler, Jorg
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err收藏
Solvation Properties of Neutral Gold Species in Supercritical Water Studied By THz Spectroscopy
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-06-03
err0
PREAI
errNoetzel, Jan; Schienbein, Philipp; Forbert, Harald; Marx, Dominik
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Solvation of small gold clusters in supercritical water
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2022-09-01
err2
PREAI
errNoetzel, Jan; Schienbein, Philipp; Forbert, Harald; Marx, Dominik
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Probing Local Electrostatics of Glycine in Aqueous Solution by THz Spectroscopy
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2020-12-21
err20
errOAAI
errSebastiani, Federico; Ma, Chun Yu; Funke, Sarah; Baumer, Alexander; Decka, Dominique; Hoberg, Claudius; Esser, Alexander; Forbert, Harald; Schwaab, Gerhard; Marx, Dominik; Havenith, Martina
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Converged quantum simulations of reactive solutes in superfluid helium: The Bochum perspective
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-06-05
err24
errOAAI
errBrieuc, Fabien; Schran, Christoph; Uhl, Felix; Forbert, Harald; Marx, Dominik
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Acid solvation versus dissociation at stardust conditions: Reaction sequence matters
errSCIENCE ADVANCES
IF12.5
err2019-06-01
err25
errOAAI
errMani, Devendra; de Tudela, Ricardo Perez; Schwan, Raffael; Pal, Nitish; Koerning, Saskia; Forbert, Harald; Redlich, Britta; van der Meer, A. F. G.; Schwaab, Gerhard; Marx, Dominik; Havenith, Martina
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Tagging effects on the mid-infrared spectrum of microsolvated protonated methane
errCHEMICAL SCIENCE
IF7.4
err2018-01-01
err11
errOAAI
errEsser, Alexander; Forbert, Harald; Marx, Dominik
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Adding flexibility to the particles-on-a-sphere model for large-amplitude motion: POSflex force field for protonated methane
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-09-12
err13
PREAI
errUhl, Felix; Walewski, Lukasz; Forbert, Harald; Marx, Dominik
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Solvation of molecules in superfluid helium enhances the interaction induced localization effect
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-04-10
err13
errOAAI
errWalewski, Lukasz; Forbert, Harald; Marx, Dominik
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Understanding THz Spectra of Aqueous Solutions: Glycine in Light and Heavy Water
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2014-03-21
err84
PREAI
errSun, Jian; Niehues, Gudrun; Forbert, Harald; Decka, Dominique; Schwaab, Gerhard; Marx, Dominik; Havenith, Martina
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err收藏
Reactive path integral quantum simulations of molecules solvated in superfluid helium
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2014-03-01
err26
PREAI
errWalewski, Lukasz; Forbert, Harald; Marx, Dominik
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High resolution spectroscopy of HCl-water clusters: IR bands of undissociated and dissociated clusters revisited
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-10-15
err52
PREAI
errLetzner, Melanie; Gruen, Sarah; Habig, Daniel; Hanke, Kenny; Endres, Torsten; Nieto, Pablo; Schwaab, Gerhard; Walewski, Lukasz; Wollenhaupt, Miriam; Forbert, Harald; Marx, Dominik; Havenith, Martina
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Spatial decomposition and assignment of infrared spectra of simple ions in water from mid-infrared to THz frequencies: Li+(aq) and F-(aq)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-07-03
err24
PREAI
errSmiechowski, Maciej; Forbert, Harald; Marx, Dominik
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Aggregation-Induced Chemical Reactions: Acid Dissociation in Growing Water Clusters
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2011-02-25
err65
PREAI
errForbert, Harald; Masia, Marco; Kaczmarek-Kedziera, Anna; Nair, Nisanth N.; Marx, Dominik
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Glycine in aqueous solution: solvation shells, interfacial water, and vibrational spectroscopy from ab initio molecular dynamics水溶液中的甘氨酸: 从头算分子动力学的溶剂化壳，界面水和振动光谱
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2010-09-20
err66
PREAI
errSun, Jian; Bousquet, David; Forbert, Harald; Marx, Dominik
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Dissecting the THz spectrum of liquid water from first principles via correlations in time and space
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2010-06-21
err376
errOAAI
errHeyden, Matthias; Sun, Jian; Funkner, Stefan; Mathias, Gerald; Forbert, Harald; Havenith, Martina; Marx, Dominik
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研究方向

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