E-LIB Suche - Ergebnisse für: Nascimento, Daniel R.

1

The role of the coupling matrix elements in time-dependent ..:

Pak, Sarah ; Nascimento, Daniel R.
Electronic Structure. , 2024

2

Reconciling TD‐DFT and CASPT2 electronic structure methods ..:

Jaiswal, Vishal Kumar ; Taddei, Mario ; Nascimento, Daniel R....
Photochemistry and Photobiology. 100 (2024) 2 - p. 443-452 , 2024

Link: https://doi.org/10.1111/..

3

Correction: Computational approaches for XANES, VtC-XES, an..:

Nascimento, Daniel R. ; Govind, Niranjan
Physical Chemistry Chemical Physics. 24 (2022) 33 - p. 19975-19975 , 2022

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

4

Computational approaches for XANES, VtC-XES, and RIXS using..:

Nascimento, Daniel R. ; Govind, Niranjan
Physical Chemistry Chemical Physics. 24 (2022) 24 - p. 14680-14691 , 2022

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

5

iSPECTRON: A simulation interface for linear and nonlinear ..:

Segatta, Francesco ; Nenov, Artur ; Nascimento, Daniel R....
Journal of Computational Chemistry. 42 (2021) 9 - p. 644-659 , 2021

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

6

Short Iterative Lanczos Integration in Time-Dependent Equat..:

Cooper, Brandon C. ; Koulias, Lauren N. ; Nascimento, Daniel R...
The Journal of Physical Chemistry A. 125 (2021) 24 - p. 5438-5447 , 2021

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

7

Revealing the bonding of solvated Ru complexes with valence..:

Biasin, Elisa ; Nascimento, Daniel R. ; Poulter, Benjamin I....
Chemical Science. 12 (2021) 10 - p. 3713-3725 , 2021

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

8

Resonant Stimulated X-ray Raman Spectroscopy of Mixed-Valen..:

Cavaletto, Stefano M. ; Nascimento, Daniel R. ; Zhang, Yu..
The Journal of Physical Chemistry Letters. 12 (2021) 25 - p. 5925-5931 , 2021

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

9

CLIFF: A component-based, machine-learned, intermolecular f..:

Schriber, Jeffrey B. ; Nascimento, Daniel R. ; Koutsoukas, Alexios...
The Journal of Chemical Physics. 154 (2021) 18 - p. , 2021

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

10

Manipulating valence and core electronic excitations of a t..:

Gu, Bing ; Cavaletto, Stefano M. ; Nascimento, Daniel R....
Chemical Science. 12 (2021) 23 - p. 8088-8095 , 2021

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

11

Resonant Inelastic X-ray Scattering Calculations of Transit..:

Nascimento, Daniel R. ; Biasin, Elisa ; Poulter, Benjamin I....
Journal of Chemical Theory and Computation. 17 (2021) 5 - p. 3031-3038 , 2021

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

12

In Silico Ultrafast Nonlinear Spectroscopy Meets Experiment..:

Segatta, Francesco ; Russo, Mattia ; Nascimento, Daniel R....
Journal of Chemical Theory and Computation. 17 (2021) 11 - p. 7134-7145 , 2021

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

13

Near-Edge X-ray Absorption Fine Structure Spectroscopy of H..:

Nascimento, Daniel R. ; Zhang, Yu ; Bergmann, Uwe.
The Journal of Physical Chemistry Letters. 11 (2020) 2 - p. 556-561 , 2020

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

14

Elucidation of the photoaquation reaction mechanism in ferr..:

March, Anne Marie ; Doumy, Gilles ; Andersen, Amity...
The Journal of Chemical Physics. 151 (2019) 14 - p. , 2019

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

15

The Chronus Quantum software package:

Williams‐Young, David B. ; Petrone, Alessio ; Sun, Shichao...
WIREs Computational Molecular Science. 10 (2019) 2 - p. , 2019

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