E-LIB Suche - Ergebnisse für: Sanz García, Juan

1

Optimizing Conical Intersections without Explicit Use of No..:

Sanz García, Juan ; Maskri, Rosa ; Mitrushchenkov, Alexander.
Journal of Chemical Theory and Computation. 20 (2024) 13 - p. 5643-5654 , 2024

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

2

Unravelling the Role of Uncommon Hydrogen Bonds in Cyclodex..:

Pigeon, Pascal ; Najlaoui, Feten ; McGlinchey, Michael James...
International Journal of Molecular Sciences. 24 (2023) 15 - p. 12288 , 2023

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

3

Inhibition of Cathepsin B by Ferrocenyl Indenes Highlights ..:

Sanz Garcia, Juan ; Gaschard, Marie ; Navizet, Isabelle...
European Journal of Inorganic Chemistry. 2022 (2022) 9 - p. , 2022

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

4

Aggregation‐Induced Emission: A Challenge for Computational..:

de Thieulloy, Laure ; Le Bras, Laura ; Zumer, Benoît...
ChemPhysChem. 22 (2021) 17 - p. 1802-1816 , 2021

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

5

Chasing unphysical TD-DFT excited states in transition meta..:

Maschietto, Federica ; Campetella, Marco ; Sanz García, Juan..
The Journal of Chemical Physics. 154 (2021) 20 - p. , 2021

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

6

Development of a Radical Silylzincation of (Het)Aryl‐Substi..:

Romain, Elise ; de la Vega‐Hernández, Karen ; Guégan, Frédéric...
Advanced Synthesis & Catalysis. 363 (2021) 10 - p. 2634-2647 , 2021

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

7

Following the evolution of excited states along photochemic..:

Campetella, Marco ; Sanz García, Juan
Journal of Computational Chemistry. 41 (2020) 12 - p. 1156-1164 , 2020

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

8

Bioluminescent Nanoluciferase–Furimamide Complex: A Theoret..:

Sahihi, Mehdi ; Sanz García, Juan ; Navizet, Isabelle
The Journal of Physical Chemistry B. 124 (2020) 13 - p. 2539-2548 , 2020

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

9

Excited state tracking during the relaxation of coordinatio..:

Sanz García, Juan ; Boggio‐Pasqua, Martial ; Ciofini, Ilaria.
Journal of Computational Chemistry. 40 (2019) 14 - p. 1420-1428 , 2019

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

10

Using density based indexes to characterize excited states ..:

Maschietto, Federica ; Sanz García, Juan ; Campetella, Marco.
Journal of Computational Chemistry. 40 (2018) 4 - p. 650-656 , 2018

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

11

Using Density Based Indexes and Wave Function Methods for t..:

Sanz García, Juan ; Maschietto, Federica ; Campetella, Marco.
The Journal of Physical Chemistry A. 122 (2018) 1 - p. 375-382 , 2018

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

12

A Theoretical Study of the N to O Linkage Photoisomerizatio..:

Sanz García, Juan ; Talotta, Francesco ; Alary, Fabienne...
Molecules. 22 (2017) 10 - p. 1667 , 2017

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

13

Establishing the Two-Photon Linkage Isomerization Mechanism..:

Sanz García, Juan ; Alary, Fabienne ; Boggio-Pasqua, Martial...
Inorganic Chemistry. 54 (2015) 17 - p. 8310-8318 , 2015

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

14

Spectroscopic characterization of Er3+-doped CaF2 nanoparti..:

Cantelar, Eugenio ; Lifante-Pedrola, Ginés ; Quintanilla, Marta..
Journal of Alloys and Compounds. 954 (2023) - p. 170192 , 2023

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

15

Structural, photoluminescent properties and Judd-Ofelt anal..:

Cantelar, Eugenio ; Sanz-García, Juan Antonio ; Sanz-Martín, Adrián..
Journal of Alloys and Compounds. 813 (2020) - p. 152194 , 2020

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