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Turcani, Lukas
27  results:
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1

Streamlining the automated discovery of porous organic cage:

Basford, Annabel R. ; Bennett, Steven K. ; Xiao, Muye...
Chemical Science.  15 (2024)  17 - p. 6331-6348 , 2024
Link: https://doi.org/10.1039/..
 
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2

Computational workflow for steric assessment using the elec..:

Mroz, Austin M ; Turcani, Lukas ; Jelfs, Kim E
Electronic Structure.  5 (2023)  4 - p. 045004 , 2023
Link: https://doi.org/10.1088/..
 
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3

Materials Precursor Score: Modeling Chemists' Intuition for..:

Bennett, Steven ; Szczypiński, Filip T. ; Turcani, Lukas...
Journal of Chemical Information and Modeling.  61 (2021)  9 - p. 4342-4356 , 2021
Link: https://doi.org/10.1021/..
 
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4

stk: An extendable Python framework for automated molecular..:

Turcani, Lukas ; Tarzia, Andrew ; Szczypiński, Filip T..
The Journal of Chemical Physics.  154 (2021)  21 - p. , 2021
Link: https://doi.org/10.1063/..
 
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5

Computational discovery of molecular C60 encapsulants with ..:

Miklitz, Marcin ; Turcani, Lukas ; Greenaway, Rebecca L..
Communications Chemistry.  3 (2020)  1 - p. , 2020
Link: https://doi.org/10.1038/..
 
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6

Powerful, transferable representations for molecules throug..:

Fare, Clyde ; Turcani, Lukas ; Pyzer-Knapp, Edward O.
Physical Chemistry Chemical Physics.  22 (2020)  23 - p. 13041-13048 , 2020
Link: https://doi.org/10.1039/..
 
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7

Hydrophilic microporous membranes for selective ion separat..:

Tan, Rui ; Wang, Anqi ; Malpass-Evans, Richard...
Nature Materials.  19 (2019)  2 - p. 195-202 , 2019
Link: https://doi.org/10.1038/..
 
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8

Author Correction: Hydrophilic microporous membranes for se..:

Tan, Rui ; Wang, Anqi ; Malpass-Evans, Richard...
Nature Materials.  19 (2019)  2 - p. 251-251 , 2019
Link: https://doi.org/10.1038/..
 
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9

Machine Learning for Organic Cage Property Prediction:

Turcani, Lukas ; Greenaway, Rebecca L. ; Jelfs, Kim E.
Chemistry of Materials.  31 (2018)  3 - p. 714-727 , 2018
Link: https://doi.org/10.1021/..
 
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10

High-Throughput Screening Approach for the Optoelectronic P..:

Wilbraham, Liam ; Berardo, Enrico ; Turcani, Lukas..
Journal of Chemical Information and Modeling.  58 (2018)  12 - p. 2450-2459 , 2018
Link: https://doi.org/10.1021/..
 
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11

Computationally-inspired discovery of an unsymmetrical poro..:

Berardo, Enrico ; Greenaway, Rebecca L. ; Turcani, Lukas...
Nanoscale.  10 (2018)  47 - p. 22381-22388 , 2018
Link: https://doi.org/10.1039/..
 
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12

stk: A python toolkit for supramolecular assembly:

Turcani, Lukas ; Berardo, Enrico ; Jelfs, Kim E.
Journal of Computational Chemistry.  39 (2018)  23 - p. 1931-1942 , 2018
Link: https://doi.org/10.1002/..
 
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13

An evolutionary algorithm for the discovery of porous organ..:

Berardo, Enrico ; Turcani, Lukas ; Miklitz, Marcin.
Chemical Science.  9 (2018)  45 - p. 8513-8527 , 2018
Link: https://doi.org/10.1039/..
 
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14

Maximising the hydrogen evolution activity in organic photo..:

Sprick, Reiner Sebastian ; Aitchison, Catherine M. ; Berardo, Enrico...
Journal of Materials Chemistry A.  6 (2018)  25 - p. 11994-12003 , 2018
Link: https://doi.org/10.1039/..
 
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15

Materials Precursor Score: Modeling Chemists' Intuition for..:

Bennett, Steven ; Szczypiński, Filip T ; Turcani, Lukas...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8479809/.  , 2021
Link: http://www.ncbi.nlm.nih...
 
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