E-LIB Suche - Ergebnisse für: Andreussi, Oliviero

1

Soft‐sphere continuum solvation models for nonaqueous solve..:

Si, Pradip ; Jayanth, Ajay ; Andreussi, Oliviero
Journal of Computational Chemistry. 45 (2023) 11 - p. 719-737 , 2023

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

2

Thermodynamic and kinetic modeling of electrocatalytic reac..:

M, Vasanthapandiyan ; Singh, Shagun ; Bononi, Fernanda..
The Journal of Chemical Physics. 159 (2023) 11 - p. , 2023

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

3

Oxygen Evolution and Reduction on Two-Dimensional Transitio..:

Karmodak, Naiwrit ; Bursi, Luca ; Andreussi, Oliviero
The Journal of Physical Chemistry Letters. 13 (2021) 1 - p. 58-65 , 2021

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

4

Oxygen Evolution on MoS2 Edges: Activation through Surface ..:

Karmodak, Naiwrit ; Andreussi, Oliviero
The Journal of Physical Chemistry C. 125 (2021) 19 - p. 10397-10405 , 2021

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

5

Bathochromic Shift in the UV–Visible Absorption Spectra of ..:

Bononi, Fernanda C. ; Chen, Zekun ; Rocca, Dario...
The Journal of Physical Chemistry A. 124 (2020) 44 - p. 9288-9298 , 2020

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

6

Catalytic Activity and Stability of Two-Dimensional Materia..:

Karmodak, Naiwrit ; Andreussi, Oliviero
ACS Energy Letters. 5 (2020) 3 - p. 885-891 , 2020

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

7

Photodecay of guaiacol is faster in ice, and even more rapi..:

Hullar, Ted ; Bononi, Fernanda C. ; Chen, Zekun...
Environmental Science: Processes & Impacts. 22 (2020) 8 - p. 1666-1677 , 2020

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

8

Functional Extrapolations to Tame Unbound Anions in Density..:

Nattino, Francesco ; Dupont, Céline ; Marzari, Nicola.
Journal of Chemical Theory and Computation. 15 (2019) 11 - p. 6313-6322 , 2019

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

9

Kinetics and Mechanism of the Hydrogen Peroxide Reduction R..:

Rojas, Mariana I. ; Andreussi, Oliviero ; Gomez, Cesar G..
The Journal of Physical Chemistry C. 124 (2019) 1 - p. 336-346 , 2019

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

10

Grand canonical simulations of electrochemical interfaces i..:

Hörmann, Nicolas G. ; Andreussi, Oliviero ; Marzari, Nicola
The Journal of Chemical Physics. 150 (2019) 4 - p. , 2019

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

11

Solvent-Aware Interfaces in Continuum Solvation:

Andreussi, Oliviero ; Hörmann, Nicolas Georg ; Nattino, Francesco...
Journal of Chemical Theory and Computation. 15 (2019) 3 - p. 1996-2009 , 2019

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

12

Absolute band alignment at semiconductor-water interfaces u..:

Hörmann, Nicolas G. ; Guo, Zhendong ; Ambrosio, Francesco...
npj Computational Materials. 5 (2019) 1 - p. , 2019

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

13

Field-Aware Interfaces in Continuum Solvation:

Truscott, Matthew ; Andreussi, Oliviero
The Journal of Physical Chemistry B. 123 (2019) 16 - p. 3513-3524 , 2019

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

14

Continuum models of the electrochemical diffuse layer in el..:

Nattino, Francesco ; Truscott, Matthew ; Marzari, Nicola.
The Journal of Chemical Physics. 150 (2018) 4 - p. , 2018

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

15

Coding solvation: challenges and opportunities:

Frediani, Luca ; Andreussi, Oliviero ; Kulik, Heather J.
International Journal of Quantum Chemistry. 119 (2018) 1 - p. , 2018

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