E-LIB Suche - Ergebnisse für: Frediani, Luca

1

Full Breit Hamiltonian in the Multiwavelets Framework:

Tantardini, Christian ; Di Remigio Eikås, Roberto ; Bjørgve, Magnar..
Journal of Chemical Theory and Computation. 20 (2024) 2 - p. 882-890 , 2024

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

2

Scalar Relativistic Effects with Multiwavelets: Implementat..:

Brakestad, Anders ; Jensen, Stig Rune ; Tantardini, Christian...
Journal of Chemical Theory and Computation. 20 (2024) 2 - p. 728-737 , 2024

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

3

VAMPyR—A high-level Python library for mathematical operati..:

Bjørgve, Magnar ; Tantardini, Christian ; Jensen, Stig Rune...
The Journal of Chemical Physics. 160 (2024) 16 - p. , 2024

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

4

Cavity-Free Continuum Solvation: Implementation and Paramet..:

Gerez S, Gabriel A. ; Di Remigio Eikås, Roberto ; Jensen, Stig Rune..
Journal of Chemical Theory and Computation. 19 (2023) 7 - p. 1986-1997 , 2023

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

5

Quantifying Intramolecular Basis Set Superposition Errors:

Pitteloud, Quentin ; Wind, Peter ; Jensen, Stig Rune..
Journal of Chemical Theory and Computation. , 2023

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

6

MRChem Multiresolution Analysis Code for Molecular Electron..:

Wind, Peter ; Bjørgve, Magnar ; Brakestad, Anders...
Journal of Chemical Theory and Computation. 19 (2022) 1 - p. 137-146 , 2022

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

7

Kinetic energy-free Hartree–Fock equations: an integral for..:

Jensen, Stig Rune ; Durdek, Antoine ; Bjørgve, Magnar...
Journal of Mathematical Chemistry. 61 (2022) 2 - p. 343-361 , 2022

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

8

47 - Factors predicting successful sacral neuromodulation: ..:

Sampogna, Gianluca ; Cattaneo, Davide ; Frediani, Luca...
Continence. 2 (2022) - p. 100088 , 2022

Link: https://doi.org/10.1016/..

9

Multiwavelets applied to metal–ligand interactions: Energie..:

Brakestad, Anders ; Wind, Peter ; Jensen, Stig Rune..
The Journal of Chemical Physics. 154 (2021) 21 - p. , 2021

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

10

Static Polarizabilities at the Basis Set Limit: A Benchmark..:

Brakestad, Anders ; Jensen, Stig Rune ; Wind, Peter...
Journal of Chemical Theory and Computation. 16 (2020) 8 - p. 4874-4882 , 2020

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

11

Fully Polarizable QM/Fluctuating Charge Approach to Two-Pho..:

Di Remigio, Roberto ; Giovannini, Tommaso ; Ambrosetti, Matteo..
Journal of Chemical Theory and Computation. 15 (2019) 7 - p. 4056-4068 , 2019

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

12

Is use of the on-label dosage of intradetrusor botulinum ne..:

Guerrer, Chiara Stefania ; Citeri, Marco ; Zanollo, Lucia Giovanna...
Toxicon. 156 (2018) - p. S41-S42 , 2018

Link: https://doi.org/10.1016/..

13

Botulinum neurotoxin type A for simultaneous multiple indic..:

Piccolo, Immacolata ; Citeri, Marco ; Zarbo, Michele...
Toxicon. 156 (2018) - p. S92 , 2018

Link: https://doi.org/10.1016/..

14

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/..

15

Density-Dependent Formulation of Dispersion–Repulsion Inter..:

Curutchet, Carles ; Cupellini, Lorenzo ; Kongsted, Jacob...
Journal of Chemical Theory and Computation. 14 (2018) 3 - p. 1671-1681 , 2018

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