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X
Paschoal, Diego F.S.
102  Ergebnisse:
Personensuche X
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1

S–Se oxidative addition to auranofin derivatives: a DFT stu..:

Dos Santos, Hélio F. ; Paschoal, Diego F. S.
Physical Chemistry Chemical Physics.  26 (2024)  6 - p. 5517-5528 , 2024
Link: https://doi.org/10.1039/..
 
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2

Molecular modeling of multi-target analogs of huperzine A a..:

de Sousa, Leonardo F. ; Paschoal, Diego F. S. ; Novato, Willian T. G.
Journal of Molecular Modeling.  30 (2024)  7 - p. , 2024
Link: https://doi.org/10.1007/..
 
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3

Theoretical study of the influence of electron push or pull..:

De Souza, Leonardo A. ; Pinto, Larissa P.N.M. ; Silva, Júlia P.O....
Computational and Theoretical Chemistry.  1232 (2024)  - p. 114459 , 2024
Link: https://doi.org/10.1016/..
 
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4

Assessment of the computational protocol to predict standar..:

Pinto, Larissa P.N.M. ; Sánchez Delgado, Giset Y. ; Dos Santos, Hélio F..
Computational and Theoretical Chemistry.  1225 (2023)  - p. 114132 , 2023
Link: https://doi.org/10.1016/..
 
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5

Assessment of a Computational Protocol for Predicting Co-59..:

Gomes, Matheus G. R. ; De Souza, Andréa L. F. ; Dos Santos, Hélio F...
Magnetochemistry.  9 (2023)  7 - p. 172 , 2023
Link: https://doi.org/10.3390/..
 
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6

Computational Prediction of Tc-99 NMR Chemical Shifts in Te..:

de Andrade, Taís F. C. B. ; Dos Santos, Hélio F. ; Fonseca Guerra, Célia.
The Journal of Physical Chemistry A.  126 (2022)  32 - p. 5434-5448 , 2022
Link: https://doi.org/10.1021/..
 
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7

An investigation of the predominant structure of antibiotic..:

Hernandes, Isabel S. ; Da Silva, Haroldo C. ; Dos Santos, Hélio F....
Physical Chemistry Chemical Physics.  24 (2022)  37 - p. 22845-22858 , 2022
Link: https://doi.org/10.1039/..
 
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8

The role of tridentate ligands on the redox stability of an..:

Sánchez Delgado, Giset Y. ; Ferreira, Frederico Henrique do C ; Paschoal, Diego F.S..
Journal of Inorganic Biochemistry.  236 (2022)  - p. 111970 , 2022
Link: https://doi.org/10.1016/..
 
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9

Intramolecular force field for carboxylate Pt(II)-complexes:

Paschoal, Diego F. S. ; Dos Santos, Hélio F.
Theoretical Chemistry Accounts.  141 (2022)  8 - p. , 2022
Link: https://doi.org/10.1007/..
 
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10

Vibrational frequencies and intramolecular force constants ..:

de Almeida, Caroline A. ; Pinto, Larissa P. N. M. ; Dos Santos, Hélio F..
Journal of Molecular Modeling.  27 (2021)  11 - p. , 2021
Link: https://doi.org/10.1007/..
 
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11

Predicting Pt-195 NMR Chemical Shift and 1J(195Pt-31P) Coup..:

e Silva, Joyce H. C. ; Dos Santos, Hélio F. ; Paschoal, Diego F. S.
Magnetochemistry.  7 (2021)  11 - p. 148 , 2021
Link: https://doi.org/10.3390/..
 
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12

Role of the Enzymatic Environment in the Reactivity of the ..:

Sánchez Delgado, Giset Y. ; Arvellos, Júlio F. A. ; Paschoal, Diego F. S..
Inorganic Chemistry.  60 (2021)  5 - p. 3181-3195 , 2021
Link: https://doi.org/10.1021/..
 
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13

Predicting the structure and NMR coupling constant 1J(129Xe..:

Paschoal, Diego F. S. ; Dos Santos, Hélio F.
Physical Chemistry Chemical Physics.  23 (2021)  12 - p. 7240-7246 , 2021
Link: https://doi.org/10.1039/..
 
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14

1H and 195Pt NMR prediction for inclusion compounds formed ..:

De Souza, Leonardo A. ; Almeida, Eduardo R. ; Cunha e Silva, Joyce H....
RSC Advances.  11 (2021)  1 - p. 599-611 , 2021
Link: https://doi.org/10.1039/..
 
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15

Antivirals virtual screening to SARS-CoV-2 non-structural p..:

Nunes, Vinicius S. ; Paschoal, Diego F. S. ; Costa, Luiz Antônio S..
Journal of Biomolecular Structure and Dynamics.  40 (2021)  19 - p. 8989-9003 , 2021
Link: https://doi.org/10.1080/..
 
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