E-LIB Suche - Ergebnisse für: Alessio, Maristella

1

Coupled-cluster treatment of complex open-shell systems: th..:

Alessio, Maristella ; Paran, Garrette Pauley ; Utku, Cansu..
Physical Chemistry Chemical Physics. 26 (2024) 24 - p. 17028-17041 , 2024

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

2

Signatures of s-wave scattering in bound electronic states:

Moorby, Robin E. ; Parravicini, Valentina ; Alessio, Maristella.
Physical Chemistry Chemical Physics. 26 (2024) 8 - p. 6532-6539 , 2024

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

3

Influence of Transition Metal Electron Configuration on the..:

Foreman, Madison M. ; Alessio, Maristella ; Krylov, Anna I..
The Journal of Physical Chemistry A. 127 (2023) 10 - p. 2258-2264 , 2023

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

4

Origin of Magnetic Anisotropy in Nickelocene Molecular Magn..:

Alessio, Maristella ; Kotaru, Saikiran ; Giudetti, Goran.
The Journal of Physical Chemistry C. 127 (2023) 7 - p. 3647-3659 , 2023

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

5

Magnetic exchange interactions in binuclear and tetranuclea..:

Kotaru, Saikiran ; Kähler, Sven ; Alessio, Maristella.
Journal of Computational Chemistry. 44 (2022) 3 - p. 367-380 , 2022

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

6

Equation-of-Motion Coupled-Cluster Protocol for Calculating..:

Alessio, Maristella ; Krylov, Anna I.
Journal of Chemical Theory and Computation. 17 (2021) 7 - p. 4225-4241 , 2021

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

7

Including dispersion in density functional theory for adsor..:

Rehak, Florian R. ; Piccini, GiovanniMaria ; Alessio, Maristella.
Physical Chemistry Chemical Physics. 22 (2020) 14 - p. 7577-7585 , 2020

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

8

Ab initio study of methanol and ethanol adsorption on Brøns..:

Piccini, GiovanniMaria ; Alessio, Maristella ; Sauer, Joachim
Physical Chemistry Chemical Physics. 20 (2018) 30 - p. 19964-19970 , 2018

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

9

Chemically accurate adsorption energies for methane and eth..:

Alessio, Maristella ; Bischoff, Florian A. ; Sauer, Joachim
Physical Chemistry Chemical Physics. 20 (2018) 15 - p. 9760-9769 , 2018

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

10

Chemically Accurate Adsorption Energies: CO and H2O on the ..:

Alessio, Maristella ; Usvyat, Denis ; Sauer, Joachim
Journal of Chemical Theory and Computation. 15 (2018) 2 - p. 1329-1344 , 2018

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

11

Ab Initio Calculation of Rate Constants for Molecule–Surfac..:

Piccini, GiovanniMaria ; Alessio, Maristella ; Sauer, Joachim
Angewandte Chemie. 128 (2016) 17 - p. 5321-5323 , 2016

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

12

Ab Initio Calculation of Rate Constants for Molecule–Surfac..:

Piccini, GiovanniMaria ; Alessio, Maristella ; Sauer, Joachim
Angewandte Chemie International Edition. 55 (2016) 17 - p. 5235-5237 , 2016

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

13

Accurate Adsorption Thermodynamics of Small Alkanes in Zeol..:

Piccini, GiovanniMaria ; Alessio, Maristella ; Sauer, Joachim...
The Journal of Physical Chemistry C. 119 (2015) 11 - p. 6128-6137 , 2015

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

14

Geometrical Correction for the Inter- and Intramolecular Ba..:

Brandenburg, Jan Gerit ; Alessio, Maristella ; Civalleri, Bartolomeo...
The Journal of Physical Chemistry A. 117 (2013) 38 - p. 9282-9292 , 2013

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

15

Signatures of s-wave scattering in bound electronic states:

Moorby, Robin E ; Parravicini, Valentina ; Alessio, Maristella.
http://arxiv.org/abs/2401.10714. , 2024

Link: http://arxiv.org/abs/240..