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Chan, Bun
586
results:
Articles (Online) X
Languages
english (557)
german (1)
Sorted by: Relevance
Sorted by: Year
?
1
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/..
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2
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/..
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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
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/..
?
5
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/..
?
6
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/..
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7
Identifying and embedding transferability in data-driven re..:
Gould, Tim
;
Chan, Bun
;
Dale, Stephen G.
.
Chemical Science. 15 (2024) 28 - p. 11122-11133 , 2024
Link:
https://doi.org/10.1039/..
?
8
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/..
?
9
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/..
?
10
Interfacial alloying between lead halide perovskite crystal..:
Li, Xuemei
;
Huang, Wengang
;
Krajnc, Andraž
...
Nature Communications. 14 (2023) 1 - p. , 2023
Link:
https://doi.org/10.1038/..
?
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
Compilation of Ionic Clusters with the Rock Salt Structure:..:
Chan, Bun
The Journal of Physical Chemistry A. 127 (2023) 27 - p. 5652-5661 , 2023
Link:
https://doi.org/10.1021/..
?
13
Adaptable water networks inside a metal–organic framework f..:
Wada, Yuki
;
Usov, Pavel M.
;
Chan, Bun
.
Acta Crystallographica Section A Foundations and Advances. 79 (2023) a2 - p. C1310-C1310 , 2023
Link:
https://doi.org/10.1107/..
?
14
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/..
?
15
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/..
1-15