E-LIB Suche - Ergebnisse für: Dawson, William

1

Roadmap on methods and software for electronic structure ba..:

Blum, Volker ; Asahi, Ryoji ; Autschbach, Jochen...
Electronic Structure. , 2024

Link: https://doi.org/10.1088/..

2

Disentangling the Black Hole Mass Spectrum with Photometric..:

Perkins, Scott E. ; McGill, Peter ; Dawson, William...
The Astrophysical Journal. 961 (2024) 2 - p. 179 , 2024

Link: https://doi.org/10.3847/..

3

Sorting drug conformers in enzyme active sites: the XTB way:

Chan, Bun ; Dawson, William ; Nakajima, Takahito
Physical Chemistry Chemical Physics. 26 (2024) 16 - p. 12610-12618 , 2024

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

4

Exploratory data science on supercomputers for quantum mech..:

Dawson, William ; Beal, Louis ; Ratcliff, Laura E...
Electronic Structure. , 2024

Link: https://doi.org/10.1088/..

5

Spatially resolved microlensing time-scale distributions ac..:

Kaczmarek, Zofia ; McGill, Peter ; Evans, N Wyn...
Monthly Notices of the Royal Astronomical Society. 529 (2024) 2 - p. 1308-1320 , 2024

Link: https://doi.org/10.1093/..

6

Astrometric Microlensing by Primordial Black Holes with the..:

Fardeen, James ; McGill, Peter ; Perkins, Scott E....
The Astrophysical Journal. 965 (2024) 2 - p. 138 , 2024

Link: https://doi.org/10.3847/..

7

Complexity reduction in density functional theory: Locality..:

Dawson, William ; Kawashima, Eisuke ; Ratcliff, Laura E....
The Journal of Chemical Physics. 158 (2023) 16 - p. , 2023

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

8

Protein–ligand interactions from a quantum fragmentation pe..:

Genovese, Luigi ; Dawson, William ; Nakajima, Takahito...
The Journal of Chemical Physics. 158 (2023) 21 - p. , 2023

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

9

Experimental–theoretical study of laccase as a detoxifier o..:

Zaccaria, Marco ; Dawson, William ; Russel Kish, Darius...
Scientific Reports. 13 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

10

Roadmap on electronic structure codes in the exascale era:

Gavini, Vikram ; Baroni, Stefano ; Blum, Volker...
Modelling and Simulation in Materials Science and Engineering. 31 (2023) 6 - p. 063301 , 2023

Link: https://doi.org/10.1088/..

11

A Framework for Coordinated Self-Assembly of Networked Micr..:

Schneider, Kevin P. ; Glass, Jim ; Klauber, Cecilia...
IEEE Access. 10 (2022) - p. 3864-3878 , 2022

Link: https://doi.org/10.1109/..

12

A Reanalysis of Public Galactic Bulge Gravitational Microle..:

Golovich, Nathan ; Dawson, William ; Bartolić, Fran...
The Astrophysical Journal Supplement Series. 260 (2022) 1 - p. 2 , 2022

Link: https://doi.org/10.3847/..

13

Modeling the Conformational Preference of the Lignocellulos..:

Chan, Bun ; Dawson, William ; Nakajima, Takahito
The Journal of Physical Chemistry A. 126 (2022) 13 - p. 2119-2126 , 2022

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

14

Searching for a Reliable Density Functional for Molecule–En..:

Chan, Bun ; Dawson, William ; Nakajima, Takahito
The Journal of Physical Chemistry A. 126 (2022) 15 - p. 2397-2406 , 2022

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

15

Probing the mutational landscape of the SARS-CoV-2 spike pr..:

Zaccaria, Marco ; Genovese, Luigi ; Dawson, William...
PNAS Nexus. 1 (2022) 5 - p. , 2022

Link: https://doi.org/10.1093/..