E-LIB Suche - Ergebnisse für: Gould, Tim

1

Large-area phosphorene for stable carbon-based perovskite s..:

Myagmarsereejid, Purevlkham ; Suragtkhuu, Selengesuren ; Trinh, Quang Thang...
npj 2D Materials and Applications. 8 (2024) 1 - p. , 2024

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

2

Identifying and embedding transferability in data-driven re..:

Gould, Tim ; Chan, Bun ; Dale, Stephen G..
Chemical Science. , 2024

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

3

Deep Mind 21 functional does not extrapolate to transition ..:

Zhao, Heng ; Gould, Tim ; Vuckovic, Stefan
Physical Chemistry Chemical Physics. 26 (2024) 16 - p. 12289-12298 , 2024

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

4

Size Isn't Everything: Geometric Tuning in Polycyclic Aroma..:

Scott, James M. ; Dale, Stephen G. ; McBroom, James..
The Journal of Physical Chemistry A. 128 (2024) 11 - p. 2003-2014 , 2024

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

5

A step toward density benchmarking—The energy-relevant "mea..:

Gould, Tim
The Journal of Chemical Physics. 159 (2023) 20 - p. , 2023

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

6

Permeable Cornified Envelope Layer Regulates the Solute Tra..:

Zamani Zakaria, Afshin ; Jepps, Owen G. ; Gould, Tim.
Journal of Pharmaceutical Sciences. 112 (2023) 7 - p. 1939-1946 , 2023

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

7

Electronic Excited States in Extreme Limits via Ensemble De..:

Gould, Tim ; Kooi, Derk P. ; Gori-Giorgi, Paola.
Physical Review Letters. 130 (2023) 10 - p. , 2023

Link: https://doi.org/10.1103/..

8

Permeability of Dermatological Solutes through the Short Pe..:

Zamani Zakaria, Afshin ; Malde, Alpeshkumar K. ; Gould, Tim
Journal of Chemical Information and Modeling. 64 (2023) 1 - p. 276-288 , 2023

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

9

Toward routine Kohn–Sham inversion using the "Lieb-response..:

Gould, Tim
The Journal of Chemical Physics. 158 (2023) 6 - p. , 2023

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

10

Poisoning density functional theory with benchmark sets of ..:

Gould, Tim ; Dale, Stephen G.
Physical Chemistry Chemical Physics. 24 (2022) 11 - p. 6398-6403 , 2022

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

11

Single Excitation Energies Obtained from the Ensemble "HOMO..:

Gould, Tim ; Hashimi, Zahed ; Kronik, Leeor.
The Journal of Physical Chemistry Letters. 13 (2022) 10 - p. 2452-2458 , 2022

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

12

Band-Structure Engineering of Copper Benzenehexathiol for R..:

Li, Meng ; Wu, Zhenzhen ; Tian, Yuhui...
The Journal of Physical Chemistry C. 126 (2022) 28 - p. 11642-11651 , 2022

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

13

First‐Principles Exploration of 2D Benzenehexathiolate Coor..:

Li, Meng ; Wu, Zhenzhen ; Zheng, Mengting...
Advanced Functional Materials. 32 (2022) 41 - p. , 2022

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

14

Adiabatic Connection for Range‐Separated Hybrid Functionals:

Garrick, Rachel ; Kronik, Leeor ; Gould, Tim
Advanced Theory and Simulations. 5 (2022) 4 - p. , 2022

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

15

Nuclear cusps and singularities in the nonadditive kinetic ..:

Banafsheh, Mojdeh ; Wesolowski, Tomasz A. ; Gould, Tim..
Physical Review A. 106 (2022) 4 - p. , 2022

Link: https://doi.org/10.1103/..