E-LIB Suche - Ergebnisse für: Ougaard Dohn, Asmus

1

Characterization of Deformational Isomerization Potential a..:

Powers-Riggs, Natalia E. ; Birgisson, Benedikt O. ; Raj, Sumana L....
Journal of the American Chemical Society. 146 (2024) 20 - p. 13962-13973 , 2024

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

2

Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones P..:

Ougaard Dohn, Asmus ; Selli, Daniele ; Fazio, Gianluca...
Molecules. 23 (2018) 11 - p. 2958 , 2018

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

3

GPAW: An open Python package for electronic structure calcu..:

Mortensen, Jens Jørgen ; Larsen, Ask Hjorth ; Kuisma, Mikael...
The Journal of Chemical Physics. 160 (2024) 9 - p. , 2024

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

4

Real-Time Structural Dynamics of the Ultrafast Solvation Pr..:

Markmann, Verena ; Pan, Jaysree ; Hansen, Bianca Laura...
Chemical Science. , 2024

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

5

Redshifted and thermally bistable one-way quantitative hemi..:

Krell-Jørgensen, Mikkel ; Zulfikri, Habiburrahman ; Bonnevie, Magnus Grage...
Chemical Communications. 59 (2023) 5 - p. 563-566 , 2023

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

6

Simulating the solvation structure of low- and high-spin [F..:

Zulfikri, Habiburrahman ; Pápai, Mátyás ; Dohn, Asmus Ougaard
Physical Chemistry Chemical Physics. 24 (2022) 27 - p. 16655-16670 , 2022

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

7

Polarizable Force Field for Acetonitrile Based on the Singl..:

Myneni, Hemanadhan ; Jónsson, Elvar Örn ; Jónsson, Hannes.
The Journal of Physical Chemistry B. 126 (2022) 45 - p. 9339-9348 , 2022

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

8

Elastic Collision Based Dynamic Partitioning Scheme for Hyb..:

Kirchhoff, Björn ; Jónsson, Elvar Örn ; Dohn, Asmus Ougaard..
Journal of Chemical Theory and Computation. 17 (2021) 9 - p. 5863-5875 , 2021

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

9

Polarizable Embedding with a Transferable H2O Potential Fun..:

Dohn, Asmus Ougaard ; Jónsson, Elvar Örn ; Jónsson, Hannes
Journal of Chemical Theory and Computation. 15 (2019) 12 - p. 6578-6587 , 2019

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

10

Polarizable Embedding with a Transferable H2O Potential Fun..:

Jónsson, Elvar Örn ; Dohn, Asmus Ougaard ; Jónsson, Hannes
Journal of Chemical Theory and Computation. 15 (2019) 12 - p. 6562-6577 , 2019

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

11

Ultrafast X-ray absorption study of longitudinal–transverse..:

Jiao, Yishuo ; Adams, Bernhard W. ; Dohn, Asmus Ougaard...
Phys. Chem. Chem. Phys.. 19 (2017) 40 - p. 27266-27274 , 2017

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

12

Direct Dynamics Studies of a Binuclear Metal Complex in Sol..:

Dohn, Asmus Ougaard ; Jónsson, Elvar Örn ; Kjær, Kasper Skov...
The Journal of Physical Chemistry Letters. 5 (2014) 14 - p. 2414-2418 , 2014

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

13

Finding intersections between electronic excited state pote..:

Kjær, Kasper S ; Van Driel, Tim B ; Harlang, Tobias C. B...
Chemical Science;10(22). , 2019

Link: https://hdl.handle.net/2..

14

Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones P..:

Ougaard Dohn, Asmus ; Selli, Daniele ; Fazio, Gianluca...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6278561/. , 2018

Link: http://www.ncbi.nlm.nih...

15

Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones P..:

Ougaard Dohn, Asmus ; Selli, Daniele ; Fazio, Gianluca...
info:eu-repo/grantAgreement/EC/H2020/647020. , 2018

Link: https://hdl.handle.net/2..