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Tecmer, Paweł
88
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Online (88)
Mediatypes
Articles (Online) (43)
Bookchapter (Online) (1)
OpenAccess-fulltext (44)
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1
Delving into the catalytic mechanism of molybdenum cofactor..:
Gałyńska, Marta
;
de Moraes, Matheus Morato F.
;
Tecmer, Paweł
.
Physical Chemistry Chemical Physics. 26 (2024) 27 - p. 18918-18929 , 2024
Link:
https://doi.org/10.1039/..
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2
Toward Reliable Dipole Moments without Single Excitations: ..:
Chakraborty, Rahul
;
de Moraes, Matheus Morato F.
;
Boguslawski, Katharina
...
Journal of Chemical Theory and Computation. 20 (2024) 11 - p. 4689-4702 , 2024
Link:
https://doi.org/10.1021/..
?
3
PyBEST: Improved functionality and enhanced performance:
Boguslawski, Katharina
;
Brzęk, Filip
;
Chakraborty, Rahul
...
Computer Physics Communications. 297 (2024) - p. 109049 , 2024
Link:
https://doi.org/10.1016/..
?
4
Towards reliable and efficient modeling of [Cu2O2]2+-based ..:
de Moraes, Matheus Morato F.
;
Tecmer, Paweł
Physical Chemistry Chemical Physics. 26 (2024) 29 - p. 19742-19754 , 2024
Link:
https://doi.org/10.1039/..
?
5
Accelerating Pythonic Coupled-Cluster Implementations: A Co..:
Kriebel, Maximilian H.
;
Tecmer, Paweł
;
Gałyńska, Marta
..
Journal of Chemical Theory and Computation. 20 (2024) 3 - p. 1130-1142 , 2024
Link:
https://doi.org/10.1021/..
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6
Geminal-Based Strategies for Modeling Large Building Blocks..:
Tecmer, Paweł
;
Gałyńska, Marta
;
Szczuczko, Lena
.
The Journal of Physical Chemistry Letters. 14 (2023) 44 - p. 9909-9917 , 2023
Link:
https://doi.org/10.1021/..
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7
Static embedding with pair coupled cluster doubles based me..:
Chakraborty, Rahul
;
Boguslawski, Katharina
;
Tecmer, Paweł
Physical Chemistry Chemical Physics. 25 (2023) 37 - p. 25377-25388 , 2023
Link:
https://doi.org/10.1039/..
?
8
The relationship between structure and excited-state proper..:
Jahani, Seyedehdelaram
;
Boguslawski, Katharina
;
Tecmer, Paweł
RSC Advances. 13 (2023) 40 - p. 27898-27911 , 2023
Link:
https://doi.org/10.1039/..
?
9
Resolving the π-assisted U–N σf-bond formation using quantu..:
Leszczyk, Aleksandra
;
Dome, Tibor
;
Tecmer, Paweł
..
Physical Chemistry Chemical Physics. 24 (2022) 35 - p. 21296-21307 , 2022
Link:
https://doi.org/10.1039/..
?
10
Diffuse Basis Functions for Relativistic s and d Block Gaus..:
Dyall, Kenneth G.
;
Tecmer, Paweł
;
Sunaga, Ayaki
Journal of Chemical Theory and Computation. 19 (2022) 1 - p. 198-210 , 2022
Link:
https://doi.org/10.1021/..
?
11
Geminal-based electronic structure methods in quantum chemi..:
Tecmer, Paweł
;
Boguslawski, Katharina
Physical Chemistry Chemical Physics. 24 (2022) 38 - p. 23026-23048 , 2022
Link:
https://doi.org/10.1039/..
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12
Reexamination of the ground-state Born-Oppenheimer Yb2 pote..:
Visentin, Giorgio
;
Buchachenko, Alexei A.
;
Tecmer, Paweł
Physical Review A. 104 (2021) 5 - p. , 2021
Link:
https://doi.org/10.1103/..
?
13
Pythonic Black-box Electronic Structure Tool (PyBEST). An o..:
Boguslawski, Katharina
;
Leszczyk, Aleksandra
;
Nowak, Artur
...
Computer Physics Communications. 264 (2021) - p. 107933 , 2021
Link:
https://doi.org/10.1016/..
?
14
Multi-reference ab initio calculations of Hg spectral data ..:
Gogyan, Anahit
;
Tecmer, Paweł
;
Zawada, Michał
Optics Express. 29 (2021) 6 - p. 8654 , 2021
Link:
https://doi.org/10.1364/..
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15
Mixed uranyl and neptunyl cation–cation interaction-driven ..:
Tecmer, Paweł
;
Schindler, Frank
;
Leszczyk, Aleksandra
.
Physical Chemistry Chemical Physics. 22 (2020) 19 - p. 10845-10852 , 2020
Link:
https://doi.org/10.1039/..
1-15