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I

Irmgard Frank

universität hannover

23H-index
149Paper Count
1.9KCitation Count
Published Papers 36
Publication Date
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High-throughput screening of single-atom catalysts on defective graphene for advanced lithium-sulfur battery cathodes
errJournal of Colloid and Interface Science
IF9.7
err2025-10-24
err0
PREAI
errDonna Rashidi; Ebrahim Nadimi; Irmgard Frank
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Single-Atom Chromium-Embedded N-Doped Graphene as a Multifunctional Separator Coating for Lithium–Sulfur Batteries
errBatteries & Supercaps
IF4.7
err2025-07-02
err0
errOAAI
errFrederik Bettels; Donna Rashidi; Zhihua Lin; Leon Schenk; Taoran Li; Haiwei Wu; Irmgard Frank; Ebrahim Nadimi; Yuping Liu; Chaofeng Zhang; Fei Ding; Lin Zhang
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Electrochemical Oxidation of UV Filters: A First-Principles Molecular Dynamics Study
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2024-11-16
err0
errOAAI
errAlvarez, Luis; Frank, Irmgard
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Gas Sensing Properties of Graphene/MoS2/Graphene Lateral Heterostructure: A First Principles Investigation
errIEEE SENSORS JOURNAL
IF4.5
err2024-11-15
err0
PREAI
errGhayyem, Forough; Kiakojouri, Ali; Frank, Irmgard; Nadimi, Ebrahim
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Exploring the Structural and Electronic Properties of Different Types of Silicon Nanotubes: A First-Principles Study
errACS APPLIED ELECTRONIC MATERIALS
IF4.7
err2024-09-28
err0
PREAI
errRashidi, Donna; Hakimi, Maryam; Frank, Irmgard; Nadimi, Ebrahim
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On the Simulation of Photoreactions Using Restricted Open-Shell Kohn-Sham Theory
errMOLECULES
IF4.6
err2024-09-23
err0
errOAAI
errBuechel, Ralf; Alvarez, Luis; Grage, Jan; Maniscalco, Dominykas; Frank, Irmgard
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Doping engineering in MoS2 as the cathode-host in lithium- sulfur batteries: A first principles investigation
errJOURNAL OF ENERGY STORAGE
IF9.8
err2024-08-01
err0
PREAI
errAbbasi, Maryam; Frank, Irmgard; Nadimi, Ebrahim
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Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster
errMOLECULES
IF4.6
err2023-09-06
err0
errOAAI
errFrank, Irmgard
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Gas sensing properties of a two-dimensional graphene/h-BN multi-heterostructure toward H2O, NH3 and NO2: A first principles study
errAPPLIED SURFACE SCIENCE
IF6.9
err2021-11-01
err52
PREAI
errRaad, Naser Hakimi; Manavizadeh, Negin; Frank, Irmgard; Nadimi, Ebrahim
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Ab-Initio Molecular Dynamics Simulation of Condensed-Phase Reactivity: The Electrolysis of Amino Acids and Peptides
errMOLECULES
IF4.6
err2020-11-19
err5
errOAAI
errKiakojouri, Ali; Nadimi, Ebrahim; Frank, Irmgard
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Constrained Chemical Dynamics of CO Dissociation/Hydrogenation on Rh Surfaces
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2018-04-30
err4
PREAI
errKraus, Peter; Frank, Irmgard
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CPMD Simulation of a Bimolecular Chemical Reaction: Nucleophilic Attack of a Disulfide Bond under Mechanical Stress
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2012-10-30
err17
PREAI
errHofbauer, Florian; Frank, Irmgard
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Electrolysis of Water in the Diffusion Layer: First-Principles Molecular Dynamics Simulation
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2011-12-08
err15
PREAI
errHofbauer, Florian; Frank, Irmgard
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Car-Parrinello Simulations of Prussian Blue: Structure, Dynamics, and Electronic Properties
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2011-06-28
err4
PREAI
errSchulte, Marius; Frank, Irmgard
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Car-Parrinello Molecular Dynamics Study of the Thermal Decomposition of Sodium Fulminate
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2010-07-12
err2
PREAI
errDamianos, Konstantina; Frank, Irmgard
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Disulfide Bond Cleavage: A Redox Reaction Without Electron Transfer
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2010-04-23
err27
PREAI
errHofbauer, Florian; Frank, Irmgard
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errSave
Mechanism of Electrocyclic Ring-Opening of Diphenyloxirane: 40 Years after Woodward and Hoffmann
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2009-10-13
err13
PREAI
errFriedrichs, Jana; Frank, Irmgard
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MECHANOSTEREOCHEMISTRY Breaking the rules
errNATURE CHEMISTRY
IF20.2
err2009-07-01
err16
PREAI
errFrank, Irmgard; Friedrichs, Jana
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errSave
Breaking bonds at a stretch
errNATURE CHEMISTRY
IF20.2
err2009-05-10
err4
PREAI
errFrank, Irmgard; Hofbauer, Florian
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errSave
Diffusion of oriented single molecules with switchable mobility in networks of long unidimensional nanochannels
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2008-01-15
err89
PREAI
errJung, Christophe; Kirstein, Johanna; Platschek, Barbara; Bein, Thomas; Budde, Michael; Frank, Irmgard; Muellen, Klaus; Michaelis, Jens; Braeuchle, Christoph
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Research Directions

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Co-authors
Cooperation Journals
K
Kläus Müllen
H-index: 186 · Papers: 2.5K
M
Michele Parrinello
H-index: 155 · Papers: 924
S
Stefan Grimme
H-index: 136 · Papers: 1.5K
T
Thomas Bein
H-index: 127 · Papers: 969
U
Ursula Röthlisberger
H-index: 81 · Papers: 565
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