E-LIB Suche - Ergebnisse für: Chan, Bun

1

The spatial dependence of intervalence charge transfer in a..:

Kearns, Eleanor R. ; Chan, Bun ; Windsor, Hunter J...
Materials Advances. 5 (2024) 4 - p. 1588-1596 , 2024

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

2

Publisher Correction: Dynamic and static control of the off..:

Terada, Chisato ; Oh, Kaho ; Tsubaki, Ryutaro...
Nature Communications. 15 (2024) 1 - p. , 2024

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

3

Methide Affinity Scale: Key Thermodynamic Data Underpinning..:

Altalhi, Weam A. O. ; Chan, Bun ; O'Hair, Richard A. J.
The Journal of Physical Chemistry A. 128 (2024) 6 - p. 977-988 , 2024

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

4

Atomic-resolution structure analysis inside an adaptable po..:

Wada, Yuki ; Usov, Pavel M. ; Chan, Bun...
Nature Communications. 15 (2024) 1 - p. , 2024

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

5

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

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

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

6

Ionization of small atmospheric acid–base clusters and its ..:

Chan, Bun
International Journal of Mass Spectrometry. 503 (2024) - p. 117285 , 2024

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

7

Electrochemical proton-coupled electron transfer processes ..:

Suzuki, Hiroaki ; Wada, Yuki ; Usov, Pavel M....
Electrochimica Acta. 473 (2024) - p. 143441 , 2024

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

8

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/..

9

Limiting factors in the accuracy of DFT calculation for red..:

Chan, Bun
Journal of Computational Chemistry. 45 (2024) 14 - p. 1177-1186 , 2024

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

10

The core ionization energies calculated by delta SCF and Sl..:

Hirao, Kimihiko ; Nakajima, Takahito ; Chan, Bun.
The Journal of Chemical Physics. 158 (2023) 6 - p. , 2023

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

11

Optimal Small Basis Set and Geometric Counterpoise Correcti..:

Chan, Bun
Journal of Chemical Theory and Computation. , 2023

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

12

Dynamic and static control of the off-target interactions o..:

Terada, Chisato ; Oh, Kaho ; Tsubaki, Ryutaro...
Nature Communications. 14 (2023) 1 - p. , 2023

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

13

Simple Composite Approach to Efficiently Estimate Basis Set..:

Chan, Bun ; Ho, Junming
The Journal of Physical Chemistry A. 127 (2023) 47 - p. 10026-10031 , 2023

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

14

Generation and reaction of alanyl radicals in open flasks:

Tatunashvili, Elene ; Maloney, Callan J. ; Chan, Bun.
Chemical Communications. 59 (2023) 15 - p. 2094-2097 , 2023

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

15

PAH335 – A diverse database of highly accurate CCSD(T) isom..:

Karton, Amir ; Chan, Bun
Chemical Physics Letters. 824 (2023) - p. 140544 , 2023

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