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Patricio F. Provasi

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Journal Articles

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2023
[j5]
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  - journals/jcc/PagolaPFL23
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  - https://dblp.org/rec/journals/jcc/PagolaPFL23
Gabriel I. Pagola, Patricio F. Provasi, Marta B. Ferraro, Paolo Lazzeretti:
On the axial chirality of leucoindigo. J. Comput. Chem. 44(17): 1578-1586 (2023)
2021
[j4]
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Gabriel I. Pagola, Marta B. Ferraro, Patricio F. Provasi, Stefano Pelloni, Paolo Lazzeretti:
Physical achirality in geometrically chiral rotamers of hydrazine and boranylborane molecules. J. Comput. Chem. 42(25): 1772-1782 (2021)
2020
[j3]
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  - journals/jcc/HaaseFPS20
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Pi A. B. Haase, Rasmus Faber, Patricio F. Provasi, Stephan P. A. Sauer:
Noniterative Doubles Corrections to the Random Phase and Higher Random Phase Approximations: Singlet and Triplet Excitation Energies. J. Comput. Chem. 41(1): 43-55 (2020)
2018
[j2]
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  - journals/jcc/Schnack-Petersen18
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Anna Kristina Schnack-Petersen, Pi A. B. Haase, Rasmus Faber, Patricio F. Provasi, Stephan P. A. Sauer:
RPA(D) and HRPA(D): Two new models for calculations of NMR indirect nuclear spin-spin coupling constants. J. Comput. Chem. 39(32): 2647-2666 (2018)
2016
[j1]
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Natalia Zarycz, Patricio F. Provasi, Gabriel I. Pagola, Marta B. Ferraro, Stefano Pelloni, Paolo Lazzeretti:
Computational study of basis set and electron correlation effects on anapole magnetizabilities of chiral molecules. J. Comput. Chem. 37(17): 1552-1558 (2016)

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