Felipe Zapata - Publications, H-index & Citations

Felipe Zapata

universidad de alcala

14H指数

27论文数

2.2K被引数

收录论文 13

发表时间

Thermal and Mechanochemical Tuning of the Porphyrin Singlet-Triplet Gap for Selective Energy Transfer Processes: A Molecular Dynamics Approach

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-08-05

OAAI

Zapata, Felipe; Nucci, Martina; Castano, Obis; Marazzi, Marco; Manuel Frutos, Luis

Excited-state electronic structure of molecules using many-body Green's functions: Quasiparticles and electron-hole excitations with VOTCA-XTP

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-03-16

OAAI

Tirimbo, G.; Sundaram, V; Caylak, O.; Scharpach, W.; Sijen, J.; Junghans, C.; Brown, J.; Ruiz, F. Zapata; Renaud, N.; Wehner, J.; Baumeier, B.

Phonon-Mediated and Weakly Size-Dependent Electron and Hole Cooling in CsPbBr3 Nanocrystals Revealed by Atomistic Simulations and Ultrafast Spectroscopy

NANO LETTERS

IF9.1

2020-02-12

OAAI

Boehme, Simon C.; Ten Brinck, Stephanie; Maes, Jorick; Yazdani, Nuri; Zapata, Felipe; Chen, Kai; Wood, Vanessa; Hodgkiss, Justin M.; Hens, Zeger; Geiregat, Pieter; Infante, Ivan

QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2019-06-19

OAAI

Zapata, Felipe; Ridder, Lars; Hidding, Johan; Jacob, Christoph R.; Infante, Ivan; Visscher, Lucas

Hot-electron transfer in quantum-dot heterojunction films

NATURE COMMUNICATIONS

IF15.7

2018-06-13

OAAI

Grimaldi, Gianluca; Crisp, Ryan W.; ten Brinck, Stephanie; Zapata, Felipe; van Ouwendorp, Michiko; Renaud, Nicolas; Kirkwood, Nicholas; Evers, Wiel H.; Kinge, Sachin; Infante, Ivan; Siebbeles, Laurens D. A.; Houtepen, Arjan J.

Continuous-wave infrared optical gain and amplified spontaneous emission at ultralow threshold by colloidal HgTe quantum dots

NATURE MATERIALS

IF38.5

2017-10-09

116

PREAI

Geiregat, Pieter; Houtepen, Arjan J.; Sagar, Laxmi Kishore; Infante, Ivan; Zapata, Felipe; Grigel, Valeriia; Allan, Guy; Delerue, Christophe; Van Thourhout, Dries; Hens, Zeger

Optomechanical Control of Quantum Yield in Trans-Cis Ultrafast Photoisomerization of a Retinal Chromophore Model

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2017-03-02

PREAI

Valentini, Alessio; Rivero, Daniel; Zapata, Felipe; Garcia-Iriepa, Cristina; Marazzi, Marco; Palmeiro, Raul; Galvan, Ignacio Fdez; Sampedro, Diego; Olivucci, Massimo; Manuel Frutos, Luis

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table Molcas 8: 跨周期表的多构型量子化学计算的新功能

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2015-11-12

1.3K

OAAI

Aquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K.; Chibotaru, Liviu F.; Delcey, Mickael G.; De Vico, Luca; Galvan, Ignacio Fdez; Ferre, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E.; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Ake; Mueller, Thomas; Nenov, Artur; Olivucci, Massimo; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra-Marti, Javier; Stenrup, Michael; Truhlar, Donald G.; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Vysotskiy, Victor P.; Weingart, Oliver; Zapata, Felipe; Lindh, Roland

Mechanical Forces Alter Conical Intersections Topology

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2015-07-14

PREAI

Rivero, Daniel; Valentini, Alessio; Angel Fernandez-Gonzalez, Miguel; Zapata, Felipe; Garcia-Iriepa, Cristina; Sampedro, Diego; Palmeiro, Raul; Manuel Frutos, Luis

Definition and determination of the triplet-triplet energy transfer reaction coordinate

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2014-01-15

PREAI

Zapata, Felipe; Marazzi, Marco; Castano, Obis; Ulises Acuna, A.; Manuel Frutos, Luis

Toward an Optomechanical Control of Photoswitches by Tuning Their Spectroscopical Properties: Structural and Dynamical Insights into Azobenzene

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2014-01-03

PREAI

Zapata, Felipe; Angel Fernandez-Gonzalez, Miguel; Rivero, Daniel; Alvarez, Angel; Marazzi, Marco; Manuel Frutos, Luis

Revisiting the Nonadiabatic Process in 1,2-Dioxetane

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2013-11-22

PREAI

Farahani, Pooria; Roca-Sanjuan, Daniel; Zapata, Felipe; Lindh, Roland

Structural Substituent Effect in the Excitation Energy of a Chromophore: Quantitative Determination and Application to S-Nitrosothiols

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2012-08-29

PREAI

Angel Fernandez-Gonzalez, Miguel; Marazzi, Marco; Lopez-Delgado, Alberto; Zapata, Felipe; Garcia-Iriepa, Cristina; Rivero, Daniel; Castano, Obis; Temprado, Manuel; Manuel Frutos, Luis

研究方向