E-LIB Suche - Ergebnisse für: Jensen, Jan H.

1

Discovery of molybdenum based nitrogen fixation catalysts w..:

Strandgaard, Magnus ; Seumer, Julius ; Jensen, Jan H.
Chemical Science. 15 (2024) 27 - p. 10638-10650 , 2024

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

2

Automated quantum chemistry for estimating nucleophilicity ..:

Ree, Nicolai ; Göller, Andreas H. ; Jensen, Jan H.
Digital Discovery. 3 (2024) 2 - p. 347-354 , 2024

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

3

Toward De Novo Catalyst Discovery: Fast Identification of N..:

Rasmussen, Maria H. ; Seumer, Julius ; Jensen, Jan H.
Angewandte Chemie. 135 (2023) 49 - p. , 2023

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

4

Genetic algorithm-based re-optimization of the Schrock cata..:

Strandgaard, Magnus ; Seumer, Julius ; Benediktsson, Bardi...
PeerJ Physical Chemistry. 5 (2023) - p. e30 , 2023

Link: https://doi.org/10.7717/..

5

Uncertain of uncertainties? A comparison of uncertainty qua..:

Rasmussen, Maria H. ; Duan, Chenru ; Kulik, Heather J..
Journal of Cheminformatics. 15 (2023) 1 - p. , 2023

Link: https://doi.org/10.1186/..

6

Computational Evolution Of New Catalysts For The Morita–Bay..:

Seumer, Julius ; Kirschner Solberg Hansen, Jonathan ; Brøndsted Nielsen, Mogens.
Angewandte Chemie. 135 (2023) 18 - p. , 2023

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

7

Do machines dream of atoms? Crippen's logP as a quantitativ..:

Rasmussen, Maria H. ; Christensen, Diana S. ; Jensen, Jan H.
SciPost Chemistry. 2 (2023) 1 - p. , 2023

Link: https://doi.org/10.21468..

8

Computational Evolution Of New Catalysts For The Morita–Bay..:

Seumer, Julius ; Kirschner Solberg Hansen, Jonathan ; Brøndsted Nielsen, Mogens.
Angewandte Chemie International Edition. 62 (2023) 18 - p. , 2023

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

9

Toward De Novo Catalyst Discovery: Fast Identification of N..:

Rasmussen, Maria H. ; Seumer, Julius ; Jensen, Jan H.
Angewandte Chemie International Edition. 62 (2023) 49 - p. , 2023

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

10

Fast and automated identification of reactions with low bar..:

Rasmussen, Maria H. ; Jensen, Jan H.
PeerJ Physical Chemistry. 4 (2022) - p. e22 , 2022

Link: https://doi.org/10.7717/..

11

A Neural Network Approach for Property Determination of Mol..:

Christensen, Oliver ; Schlosser, Rasmus Dalsgaard ; Nielsen, Rasmus Buus...
The Journal of Physical Chemistry A. 126 (2022) 10 - p. 1681-1688 , 2022

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

12

What the Heck?─Automated Regioselectivity Calculations of P..:

Ree, Nicolai ; Göller, Andreas H. ; Jensen, Jan H.
ACS Omega. 7 (2022) 49 - p. 45617-45623 , 2022

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

13

Substituent Control of σ-Interference Effects in the Transm..:

Garner, Marc H. ; Koerstz, Mads ; Jensen, Jan H..
ACS Physical Chemistry Au. 2 (2022) 4 - p. 282-288 , 2022

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

14

RegioML: predicting the regioselectivity of electrophilic a..:

Ree, Nicolai ; Göller, Andreas H. ; Jensen, Jan H.
Digital Discovery. 1 (2022) 2 - p. 108-114 , 2022

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

15

Fast and automated identification of reactions with low bar..:

Koerstz, Mads ; Rasmussen, Maria H. ; Jensen, Jan H.
SciPost Chemistry. 1 (2021) 1 - p. , 2021

Link: https://doi.org/10.21468..