E-LIB Suche - Ergebnisse für: Cacelli, Ivo

1

Automated Parameterization of Quantum Mechanically Derived ..:

Vilhena, J. G. ; Greff da Silveira, Leandro ; Livotto, Paolo Roberto..
Journal of Chemical Theory and Computation. 17 (2021) 7 - p. 4449-4464 , 2021

Link: https://doi.org/10.1021/..

2

A General Treatment to Study Molecular Complexes Stabilized..:

Calabrese, Camilla ; Li, Weixing ; Prampolini, Giacomo...
Angewandte Chemie International Edition. 58 (2019) 25 - p. 8437-8442 , 2019

Link: https://doi.org/10.1002/..

3

A General Treatment to Study Molecular Complexes Stabilized..:

Calabrese, Camilla ; Li, Weixing ; Prampolini, Giacomo...
Angewandte Chemie. 131 (2019) 25 - p. 8525-8530 , 2019

Link: https://doi.org/10.1002/..

4

Accurate interaction energies by spin component scaled Möll..:

Cacelli, Ivo ; Lipparini, Filippo ; Greff da Silveira, Leandro...
The Journal of Chemical Physics. 150 (2019) 23 - p. , 2019

Link: https://doi.org/10.1063/..

5

The role of the multiconfigurational character of nitronyl-..:

Barone, Vincenzo ; Cacelli, Ivo ; Ferretti, Alessandro
Physical Chemistry Chemical Physics. 20 (2018) 27 - p. 18547-18555 , 2018

Link: https://doi.org/10.1039/..

6

Interaction Energy Landscapes of Aromatic Heterocycles thro..:

Jacobs, Matheus ; Greff Da Silveira, Leandro ; Prampolini, Giacomo..
Journal of Chemical Theory and Computation. 14 (2018) 2 - p. 543-556 , 2018

Link: https://doi.org/10.1021/..

7

Development and Validation of Quantum Mechanically Derived ..:

Greff da Silveira, Leandro ; Jacobs, Matheus ; Prampolini, Giacomo..
Journal of Chemical Theory and Computation. 14 (2018) 9 - p. 4884-4900 , 2018

Link: https://doi.org/10.1021/..

8

Developing accurate intramolecular force fields for conjuga..:

Cerezo, Javier ; Prampolini, Giacomo ; Cacelli, Ivo
Theoretical Chemistry Accounts. 137 (2018) 6 - p. , 2018

Link: https://doi.org/10.1007/..

9

Eumelanin broadband absorption develops from aggregation-mo..:

Micillo, Raffaella ; Panzella, Lucia ; Iacomino, Mariagrazia...
Scientific Reports. 7 (2017) 1 - p. , 2017

Link: https://doi.org/10.1038/..

10

Noncovalent Interactions in the Catechol Dimer:

Barone, Vincenzo ; Cacelli, Ivo ; Ferretti, Alessandro.
Biomimetics. 2 (2017) 3 - p. 18 , 2017

Link: https://doi.org/10.3390/..

11

Magnetic gaps in organic tri-radicals: From a simple model ..:

Barone, Vincenzo ; Cacelli, Ivo ; Ferretti, Alessandro.
The Journal of Chemical Physics. 146 (2017) 10 - p. , 2017

Link: https://doi.org/10.1063/..

12

Quantitative prediction and interpretation of spin energy g..:

Barone, Vincenzo ; Cacelli, Ivo ; Ferretti, Alessandro.
Physical Chemistry Chemical Physics. 19 (2017) 13 - p. 9039-9044 , 2017

Link: https://doi.org/10.1039/..

13

Predicting light absorption properties of anthocyanidins in..:

Cacelli, Ivo ; Ferretti, Alessandro ; Prampolini, Giacomo
Theoretical Chemistry Accounts. 135 (2016) 6 - p. , 2016

Link: https://doi.org/10.1007/..

14

Systematic and Automated Development of Quantum Mechanicall..:

Prampolini, Giacomo ; Campetella, Marco ; De Mitri, Nicola..
Journal of Chemical Theory and Computation. 12 (2016) 11 - p. 5525-5540 , 2016

Link: https://doi.org/10.1021/..

15

BALOO: A Fast and Versatile Code for Accurate Multireferenc..:

Cacelli, Ivo ; Ferretti, Alessandro ; Prampolini, Giacomo.
Journal of Chemical Theory and Computation. 11 (2015) 5 - p. 2024-2035 , 2015

Link: https://doi.org/10.1021/..