E-LIB Suche - Ergebnisse für: Genoni, Alessandro

1

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/..

2

The effects of experimentally obtained electron correlation..:

Hupf, Emanuel ; Kleemiss, Florian ; Borrmann, Tobias...
The Journal of Chemical Physics. 158 (2023) 12 - p. , 2023

Link: https://doi.org/10.1063/..

3

Monte Carlo simulations of electron interactions with the D..:

Zein, Sara A. ; Bordage, Marie-Claude ; Tran, Hoang Ngoc...
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 542 (2023) - p. 51-60 , 2023

Link: https://doi.org/10.1016/..

4

Initial Maximum Overlap Method Embedded with Extremely Loca..:

Macetti, Giovanni ; Genoni, Alessandro
Molecules. 28 (2022) 1 - p. 136 , 2022

Link: https://doi.org/10.3390/..

5

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/..

6

Complementary Bonding Analysis

De Gruyter STEM

Arias-Olivares, David ; Bickelhaupt, F. Matthias ; Braïda, Benoît... , [2021]

Link: https://doi.org/10.1515/..

7

Initial Maximum Overlap Method for Large Systems by the Qua..:

Macetti, Giovanni ; Genoni, Alessandro
Journal of Chemical Theory and Computation. 17 (2021) 7 - p. 4169-4182 , 2021

Link: https://doi.org/10.1021/..

8

Visualizing Correlation Regions: The Case of the Ammonia Cr..:

Ramírez‐Palma, David ; Landeros‐Rivera, Bruno ; Genoni, Alessandro..
Chemistry–Methods. 2 (2021) 2 - p. , 2021

Link: https://doi.org/10.1002/..

9

Extending Libraries of Extremely Localized Molecular Orbita..:

Wieduwilt, Erna ; Macetti, Giovanni ; Scatena, Rebecca..
Crystals. 11 (2021) 2 - p. 207 , 2021

Link: https://doi.org/10.3390/..

10

Three-Layer Multiscale Approach Based on Extremely Localize..:

Macetti, Giovanni ; Genoni, Alessandro
The Journal of Physical Chemistry A. 125 (2021) 27 - p. 6013-6027 , 2021

Link: https://doi.org/10.1021/..

11

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/..

12

Electron transport in DNA bases: An extension of the Geant4..:

Zein, Sara A. ; Bordage, Marie-Claude ; Francis, Ziad...
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 488 (2021) - p. 70-82 , 2021

Link: https://doi.org/10.1016/..

13

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/..

14

Accurate crystal structures and chemical properties from No..:

Kleemiss, Florian ; Dolomanov, Oleg V. ; Bodensteiner, Michael...
Chemical Science. 12 (2021) 5 - p. 1675-1692 , 2021

Link: https://doi.org/10.1039/..

15

The advanced treatment of hydrogen bonding in quantum cryst..:

Malaspina, Lorraine A. ; Genoni, Alessandro ; Jayatilaka, Dylan...
Journal of Applied Crystallography. 54 (2021) 3 - p. 718-729 , 2021

Link: https://doi.org/10.1107/..