Philipp Marquetand

Universität Wien

Austria

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Articles (10)

Year:

2023

Year:

2022

Year:

2022

Year:

2022

Year:

2022

Year:

2022

Year:

2021

Year:

2021

Year:

2021

Year:

2021

Collaborators (14)

Philipp Grohs

Universität Wien

AUSTRIA

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Michael Jakupec

Universität Wien

AUSTRIA

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Wolfgang Kandioller

Universität Wien

AUSTRIA

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Chris Oostenbrink

AUSTRIA

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Michael Scherbela

Universität Wien

AUSTRIA

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Gunda Koellensperger

Professor

AUSTRIA

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Julia Westermayr

Assistant Professor

Leipzig University

GERMANY

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Inke Siewert

GERMANY

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Peter Vöhringer

GERMANY

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Leticia Gonzalez

Universität Wien

AUSTRIA

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Dominik Wenisch

Universität Wien

AUSTRIA

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Florian Jörg

Universität Wien

AUSTRIA

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Rafael Reisenhofer

Universität Wien

AUSTRIA

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Michael Gastegger

GERMANY

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Philipp Marquetand

Research Interests

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Articles (10)

Nonadiabatic Forward Flux Sampling for Excited-State Rare Events

Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks

Arene Variation of Highly Cytotoxic Tridentate Naphthoquinone-Based Ruthenium(II) Complexes and In-Depth In Vitro Studies

Deep learning study of tyrosine reveals that roaming can lead to photodamage

BuRNN: Buffer Region Neural Network Approach for Polarizable-Embedding Neural Network/Molecular Mechanics Simulations

Luminescent Iridium Complexes with a Sulfurated Bipyridine Ligand: PCET Thermochemistry of the Disulfide Unit and Photophysical Properties

Machine Learning for Electronically Excited States of Molecules

Tridentate 3-Substituted Naphthoquinone Ruthenium Arene Complexes: Synthesis, Characterization, Aqueous Behavior, and Theoretical and Biological Studies

Photo‐Initiated Cobalt‐Catalyzed Radical Olefin Hydrogenation

A Force Field for a Manganese-Vanadium Water Oxidation Catalyst: Redox Potentials in Solution as Showcase

Collaborators (14)

Philipp Grohs

Michael Jakupec

Wolfgang Kandioller

Chris Oostenbrink

Michael Scherbela

Gunda Koellensperger

Julia Westermayr

Inke Siewert

Peter Vöhringer

Leticia Gonzalez

Dominik Wenisch

Florian Jörg

Rafael Reisenhofer

Michael Gastegger

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