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Wieduwilt, Erna K.
44  Ergebnisse:
Personensuche X
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1

Understanding the initial events of the oxidative damage an..:

Hagemann, Marlisa M. ; Wieduwilt, Erna K. ; Hedegård, Erik D.
Chemical Science.  15 (2024)  7 - p. 2558-2570 , 2024
Link: https://doi.org/10.1039/..
 
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2

Extracting Quantitative Information at Quantum Mechanical L..:

Wieduwilt, Erna K. ; Boto, Roberto A. ; Macetti, Giovanni...
Journal of Chemical Theory and Computation.  19 (2023)  3 - p. 1063-1079 , 2023
Link: https://doi.org/10.1021/..
 
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3

Nickel and Palladium Complexes of a PP(O)P Pincer Ligand Ba..:

Duvinage, Daniel ; Puylaert, Pim ; Wieduwilt, Erna K....
Inorganic Chemistry.  61 (2022)  22 - p. 8406-8418 , 2022
Link: https://doi.org/10.1021/..
 
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4

The N,N,N-trimethylammonium moiety as tetrel bond donor sit..:

Daolio, Andrea ; Wieduwilt, Erna K. ; Pizzi, Andrea...
Physical Chemistry Chemical Physics.  24 (2022)  40 - p. 24892-24901 , 2022
Link: https://doi.org/10.1039/..
 
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5

Similarities and Differences between Crystal and Enzyme Env..:

Kleemiss, Florian ; Wieduwilt, Erna K. ; Hupf, Emanuel...
Chemistry – A European Journal.  27 (2021)  10 - p. 3407-3419 , 2021
Link: https://doi.org/10.1002/..
 
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6

QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding..:

Macetti, Giovanni ; Wieduwilt, Erna K. ; Genoni, Alessandro
The Journal of Physical Chemistry A.  125 (2021)  13 - p. 2709-2726 , 2021
Link: https://doi.org/10.1021/..
 
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7

A Step toward the Quantification of Noncovalent Interaction..:

Wieduwilt, Erna K. ; Boisson, Jean-Charles ; Terraneo, Giancarlo..
Journal of Chemical Information and Modeling.  61 (2021)  2 - p. 795-809 , 2021
Link: https://doi.org/10.1021/..
 
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8

Climbing Jacob's Ladder of Structural Refinement: Introduct..:

Wieduwilt, Erna K. ; Macetti, Giovanni ; Genoni, Alessandro
The Journal of Physical Chemistry Letters.  12 (2020)  1 - p. 463-471 , 2020
Link: https://doi.org/10.1021/..
 
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9

Localized Molecular Orbital-Based Embedding Scheme for Corr..:

Macetti, Giovanni ; Wieduwilt, Erna K. ; Assfeld, Xavier.
Journal of Chemical Theory and Computation.  16 (2020)  6 - p. 3578-3596 , 2020
Link: https://doi.org/10.1021/..
 
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10

Post-Hartree-Fock methods for Hirshfeld atom refinement: ar..:

Wieduwilt, Erna K. ; Macetti, Giovanni ; Malaspina, Lorraine A....
Journal of Molecular Structure.  1209 (2020)  - p. 127934 , 2020
Link: https://doi.org/10.1016/..
 
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11

Fast and accurate quantum crystallography 

from small to large, from light to heavy 
Malaspina, Lorraine A. ; Wieduwilt, Erna K. ; Bergmann, Justin.... (2019)  22 - p. 6973-6982
Link: https://doi.org/10.1021/..
 
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12

NCI-ELMO: A New Method To Quickly and Accurately Detect Non..:

Arias-Olivares, David ; Wieduwilt, Erna K. ; Contreras-García, Julia.
Journal of Chemical Theory and Computation.  15 (2019)  11 - p. 6456-6470 , 2019
Link: https://doi.org/10.1021/..
 
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13

Fast and Accurate Quantum Crystallography: From Small to La..:

Malaspina, Lorraine A. ; Wieduwilt, Erna K. ; Bergmann, Justin...
The Journal of Physical Chemistry Letters.  10 (2019)  22 - p. 6973-6982 , 2019
Link: https://doi.org/10.1021/..
 
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14

Similarities and differences between crystal and enzyme env..:

Kleemiss, Florian ; Wieduwilt, Erna K ; Hupf, Emanuel...
https://boris.unibe.ch/150766/.  , 2021
Link: https://boris.unibe.ch/1..
 
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15

QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding..:

Macetti, Giovanni ; Wieduwilt, Erna, K ; Genoni, Alessandro
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpca.0c11450.  , 2021
Link: https://hal.univ-lorrain..
 
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