Erna Katharina Wieduwilt (Erna K Wieduwilt)

ORCID

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 14

Top Venues

Dalton transactions (Cambridge, England : 2003)

Journal of chemical theory and computation

Chemical science

Physical chemistry chemical physics : PCCP

Université de Metz (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Université de Metz

France

PHD

Universität Bremen

Germany

MSC

Universität Bremen

Germany

BSC

Publications

Marlisa M Hagemann, Erna Katharina Wieduwilt, Erik Donovan Hedegård
Understanding the initial events of the oxidative damage and protection mechanisms of the AA9 lytic polysaccharide monooxygenase family. Chemical science 15 (7) (2024)
Erna Katharina Wieduwilt, Leila Lo Leggio, Erik Donovan Hedegård
A frontier-orbital view of the initial steps of lytic polysaccharide monooxygenase reactions. Dalton transactions (Cambridge, England : 2003) 53 (13) (2024)
Erna Katharina Wieduwilt, Leila Lo Leggio, Erik Donovan Hedegård
A frontier-orbital view of the initial steps of lytic polysaccharide monooxygenase reactions. Dalton transactions (Cambridge, England : 2003) 53 (13) (2024)
Marlisa M Hagemann, Erna Katharina Wieduwilt, Erik Donovan Hedegård
Understanding the initial events of the oxidative damage and protection mechanisms of the AA9 lytic polysaccharide monooxygenase family. Chemical science 15 (7) (2024)
Erna Katharina Wieduwilt, Leila Lo Leggio, Erik Donovan Hedegård
A frontier-orbital view of the initial steps of lytic polysaccharide monooxygenase reactions. Dalton transactions (Cambridge, England : 2003) (2024)
Erna Katharina Wieduwilt, Roberto A Boto, Giovanni Macetti, Milagros Medina, Julia Contreras-García, Alessandro Genoni
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses. Journal of chemical theory and computation (2023)
Erna Katharina Wieduwilt, Roberto A Boto, Giovanni Macetti, Milagros Medina, Julia Contreras-García, Alessandro Genoni
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses. Journal of chemical theory and computation 19 (3) (2023)
Daniel Duvinage, Pim Puylaert, Erna Katharina Wieduwilt, Lorraine A Malaspina, Alison J Edwards, Enno Lork, Stefan Mebs, Emanuel Hupf, Simon Grabowsky, Jens Beckmann
Nickel and Palladium Complexes of a PP(O)P Pincer Ligand Based upon a peri -Substituted Acenaphthyl Scaffold and a Secondary Phosphine Oxide. Inorganic chemistry 61 (22) (2022)
Andrea Daolio, Erna Katharina Wieduwilt, Andrea Pizzi, Alessandro Genoni, Giuseppe Resnati, Giancarlo Terraneo
The N , N , N -trimethylammonium moiety as tetrel bond donor site: crystallographic and computational studies. Physical chemistry chemical physics : PCCP 24 (40) (2022)
Erna Katharina Wieduwilt, Jean-Charles Boisson, Giancarlo Terraneo, Eric Hénon, Alessandro Genoni
A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach. Journal of chemical information and modeling 61 (2) (2021)
Florian Kleemiss, Erna Katharina Wieduwilt, Emanuel Hupf, Ming W Shi, Scott G Stewart, Dylan Jayatilaka, Michael J Turner, Kunihisa Sugimoto, Eiji Nishibori, Tanja Schirmeister, Thomas C Schmidt, Bernd Engels, Simon Grabowsky
Similarities and Differences between Crystal and Enzyme Environmental Effects on the Electron Density of Drug Molecules. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (10) (2021)
Giovanni Macetti, Erna Katharina Wieduwilt, Alessandro Genoni
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals. The journal of physical chemistry. A 125 (13) (2021)
Giovanni Macetti, Erna Katharina Wieduwilt, Xavier Assfeld, Alessandro Genoni
Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods. Journal of chemical theory and computation 16 (6) (2020)
Erna Katharina Wieduwilt, Giovanni Macetti, Alessandro Genoni
Climbing Jacob's Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions. The journal of physical chemistry letters 12 (1) (2020)

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Publication Activity (10 Years)

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Erna Katharina Wieduwilt (Erna K Wieduwilt)