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Chan, Bun
979
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Online (979)
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E-Books (3)
Articles (Online) (578)
Bookchapter (Online) (18)
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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/..
1-15