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1 . Academic Journal
Reaction dynamics of Diels–Alder reactions from machine learned potentials.
저자
by
Young, Tom A.
;
Johnston-Wood, Tristan
;
Zhang, Hanwen
;
Duarte, Fernanda
.
소스
Physical Chemistry Chemical Physics (PCCP); 9/21/2022, Vol. 24 Issue 35, p20820-20827, 8p
Full Text (RSC Gold)
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6 . Academic Journal
Heterometathesis of diphosphanes (R
2
P–PR
2
) with dichalcogenides (R′E–ER′, E = O, S, Se, Te).
저자
by
Branfoot, Callum
;
Pringle, Paul G.
;
Pridmore, Natalie E.
;
Young, Tom A.
;
Wass, Duncan F.
.
소스
Dalton Transactions: An International Journal of Inorganic Chemistry
. 6/14/2022, Vol. 51 Issue 22, p8906-8913. 8p.
Full Text (RSC Gold)
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7 . Academic Journal
Computational Modeling of Supramolecular Metallo-organic Cages–Challenges and Opportunities.
저자
by
Piskorz, Tomasz K.
;
Martí-Centelles, Vicente
;
Young, Tom A.
;
Lusby, Paul J.
;
Duarte, Fernanda
.
소스
ACS Catalysis; 5/20/2022, Vol. 12 Issue 10, p5806-5826, 21p
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7 . Academic Journal
A transferable active-learning strategy for reactive molecular force fields.
저자
by
Young, Tom A.
;
Johnston-Wood, Tristan
;
Deringer, Volker L.
;
Duarte, Fernanda
.
소스
Chemical Science; 8/28/2021, Vol. 12 Issue 32, p10944-10955, 12p
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6 . Academic Journal
Radical-initiated P,P-metathesis reactions of diphosphanes: evidence from experimental and computational studies.
저자
by
Branfoot, Callum
;
Young, Tom A.
;
Wass, Duncan F.
;
Pringle, Paul G.
.
소스
Dalton Transactions: An International Journal of Inorganic Chemistry
. 5/28/2021, Vol. 50 Issue 20, p7094-7104. 11p.
Full Text (RSC Gold)
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6 . Academic Journal
autodE: Automated Calculation of Reaction Energy Profiles— Application to Organic and Organometallic Reactions.
저자
by
Young, Tom A.
;
Silcock, Joseph J.
;
Sterling, Alistair J.
;
Duarte, Fernanda
.
소스
Angewandte Chemie
. 2/19/2021, Vol. 133 Issue 8, p4312-4320. 9p.
Full Text (Wiley)
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6 . Academic Journal
Synergistic Noncovalent Catalysis Facilitates Base-Free Michael Addition.
저자
by
Wang, Jianzhu
;
Young, Tom A.
;
Duarte, Fernanda
;
Lusby, Paul J.
.
소스
Journal of the American Chemical Society; 10/14/2020, Vol. 142 Issue 41, p17743-17750, 8p
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6 . Academic Journal
cgbind: A Python Module and Web App for Automated Metallocage Construction and Host–Guest Characterization.
저자
by
Young, Tom A.
;
Gheorghe, Razvan
;
Duarte, Fernanda
.
소스
Journal of Chemical Information & Modeling; 7/27/2020, Vol. 60 Issue 7, p3546-3557, 12p
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5 . Academic Journal
Catalytic Asymmetric Synthesis of Cyclohexanes by Hydrogen Borrowing Annulations.
저자
by
Armstrong, Roly J.
;
Akhtar, Wasim M.
;
Young, Tom A.
;
Duarte, Fernanda
;
Donohoe, Timothy J.
.
소스
Angewandte Chemie
. 9/2/2019, Vol. 131 Issue 36, p12688-12692. 5p.
Full Text (Wiley)
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7 . Periodical
Host–Guest-Induced Electron Transfer Triggers Radical-Cation Catalysis
저자
by
Spicer, Rebecca L.
;
Stergiou, Athanasios D.
;
Young, Tom A.
;
Duarte, Fernanda
;
Symes, Mark D.
, et al.
소스
Journal of the American Chemical Society; February 2020, Vol. 142 Issue: 5 p2134-2139, 6p
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