Curchod, Basile F.E.: search on Z-Library

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1

Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers

Mathew, Simon, Yella, Aswani, Gao, Peng, Humphry-Baker, Robin, Curchod, Basile F. E., Ashari-Astani, Negar, Tavernelli, Ivano, Rothlisberger, Ursula, Nazeeruddin, Md. Khaja, Grätzel, Michael

Journal:

Nature Chemistry

Year:

2014

Language:

english

File:

PDF, 2.27 MB

english, 2014

2

Ab Initio Nonadiabatic Quantum Molecular Dynamics

Curchod, Basile F. E., Martínez, Todd J.

Journal:

Chemical Reviews

Year:

2018

Language:

english

File:

PDF, 6.34 MB

english, 2018

3

Acid-Induced Degradation of Phosphorescent Dopants for OLEDs and Its Application to the Synthesis of Tris-heteroleptic Iridium(III) Bis-cyclometalated Complexes

Baranoff, Etienne, Curchod, Basile F. E., Frey, Julien, Scopelliti, Rosario, Kessler, Florian, Tavernelli, Ivano, Rothlisberger, Ursula, Grätzel, Michael, Nazeeruddin, Md. Khaja

Journal:

Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 3.01 MB

english, 2012

4

Different flavors of nonadiabatic molecular dynamics

Agostini, Federica, Curchod, Basile F. E.

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2019

Language:

english

File:

PDF, 3.26 MB

english, 2019

5

Sub-Femtosecond Stark Control of Molecular Photoexcitation With Near Single-Cycle Pulses

Mignolet, Benoit, Curchod, Basile F. E., Remacle, Francoise, Martínez, Todd J.

Journal:

The Journal of Physical Chemistry Letters

Year:

2019

File:

PDF, 6.30 MB

2019

6

Steering the outcome of a photochemical reaction—An in silico experiment on the H 2 CSO sulfine using few-femtosecond dump pulses

Mignolet, Benoit, Curchod, Basile F. E.

Journal:

The Journal of Chemical Physics

Year:

2019

File:

PDF, 2.40 MB

2019

7

GPU-Accelerated State-Averaged CASSCF Interfaced with Ab Initio Multiple Spawning Unravels the Photodynamics of Provitamin D 3

Snyder, James W, Curchod, Basile F. E., Martínez, Todd J.

Journal:

The Journal of Physical Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 3.72 MB

english, 2016

8

Tuning the Oxidation Potential of 2-Phenylpyridine-based Iridium Complexes to Improve the Performance of Bluish and White OLEDs

Wang, Yafei, Sun, Ning, Curchod, Basile F. E., Male, Louise, Ma, Dongge, Fan, Jiang, Liu, Yu, Zhu, Weiguo, Baranoff, Etienne David

Journal:

Journal of Materials Chemistry C

Year:

2015

Language:

english

File:

PDF, 21.81 MB

english, 2015

9

Mixed quantum-classical dynamics with time-dependent external fields: A time-dependent density-functional-theory approach

Tavernelli, Ivano, Curchod, Basile F. E., Rothlisberger, Ursula

Journal:

Physical Review A

Year:

2010

Language:

english

File:

PDF, 830 KB

english, 2010

10

On the Theoretical Determination of Photolysis Properties for Atmospheric Volatile Organic Compounds

Prlj, Antonio, Ibele, Lea Maria, Marsili, Emanuele, Curchod, Basile F. E.

Journal:

The Journal of Physical Chemistry Letters

Year:

2020

File:

PDF, 14.83 MB

2020

11

A molecular perspective on Tully models for nonadiabatic dynamics

Ibele, Lea M., Curchod, Basile F. E.

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 3.11 MB

2020

12

Trajectory-based solution of the nonadiabatic quantum dynamics equations: an on-the-fly approach for molecular dynamics simulations

Curchod, Basile F. E., Tavernelli, Ivano, Rothlisberger, Ursula

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.51 MB

english, 2011

13

On the Dynamics through a Conical Intersection

Curchod, Basile F. E., Agostini, Federica

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 22.45 MB

english, 2017

14

On nonadiabatic coupling vectors in time-dependent density functional theory

Tavernelli, Ivano, Curchod, Basile F. E., Rothlisberger, Ursula

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 296 KB

english, 2009

15

When the exact factorization meets conical intersections...

Agostini, Federica, Curchod, Basile F. E.

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2018

Language:

english

File:

PDF, 3.35 MB

english, 2018

16

Trajectory-Based Nonadiabatic Dynamics with Time-Dependent Density Functional Theory

Curchod, Basile F. E., Rothlisberger, Ursula, Tavernelli, Ivano

Journal:

Year:

2013

Language:

english

File:

PDF, 2.62 MB

english, 2013

17

CT-MQC – a coupled-trajectory mixed quantum/classical method including nonadiabatic quantum coherence effects

Curchod, Basile F. E., Agostini, Federica, Tavernelli, Ivano

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2018

Language:

english

File:

PDF, 1.83 MB

english, 2018

18

Towards Compatibility between Ruthenium Sensitizers and Cobalt Electrolytes in Dye-Sensitized Solar Cells

Polander, Lauren E., Yella, Aswani, Curchod, Basile F. E., Ashari Astani, Negar, Teuscher, Joël, Scopelliti, Rosario, Gao, Peng, Mathew, Simon, Moser, Jacques-E., Tavernelli, Ivano, Rothlisberger, Urs

Journal:

Angewandte Chemie International Edition

Year:

2013

Language:

english

File:

PDF, 720 KB

english, 2013

19

A walk through the approximations of ab initio multiple spawning

Mignolet, Benoit, Curchod, Basile F. E.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.48 MB

english, 2018

20

Excited-state dynamics of molecules with classically driven trajectories and Gaussians

Ibele, Lea M., Nicolson, Angus, Curchod, Basile F. E.

Journal:

Molecular Physics

Year:

2019

Language:

english

File:

PDF, 2.44 MB

english, 2019

21

SSAIMS â Stochastic-Selection Ab Initio Multiple Spawning for Efficient Nonadiabatic Molecular Dynamics

Curchod, Basile F. E., Glover, William J., MartÃnez, Todd J.

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 12.63 MB

2020

22

Nonadiabatic Molecular Dynamics Based on Trajectories

de Carvalho, Felipe, Bouduban, Marine, Curchod, Basile, Tavernelli, Ivano

Journal:

Year:

2013

Language:

english

File:

PDF, 653 KB

english, 2013

23

The Cause for Tremendous Acceleration of Chloride Substitution via Base Catalysis in the Chloro Pentaammine Cobalt(III) Ion

Curchod, Basile F. E., Rotzinger, François P.

Journal:

Inorganic Chemistry

Year:

2011

Language:

english

File:

PDF, 1.13 MB

english, 2011

24

Molecular Engineering of a Fluorene Donor for Dye-Sensitized Solar Cells

Yella, Aswani, Humphry-Baker, Robin, Curchod, Basile F. E., Ashari Astani, Negar, Teuscher, Joël, Polander, Lauren E., Mathew, Simon, Moser, Jacques-E., Tavernelli, Ivano, Rothlisberger, Ursula, Grätz

Journal:

Chemistry of Materials

Year:

2013

Language:

english

File:

PDF, 15.03 MB

english, 2013

25

Nonadiabaticab initiomolecular dynamics using linear-response time-dependent density functional theory

Curchod, Basile F. E., Penfold, Thomas J., Rothlisberger, Ursula, Tavernelli, Ivano

Journal:

Central European Journal of Physics

Year:

2013

Language:

english

File:

PDF, 597 KB

english, 2013

26

Inside Cover: Local Control Theory in Trajectory Surface Hopping Dynamics Applied to the Excited-State Proton Transfer of 4-Hydroxyacridine (ChemPhysChem 10/2015)

Curchod, Basile F. E., Penfold, Thomas J., Rothlisberger, Ursula, Tavernelli, Ivano

Journal:

Year:

2015

File:

PDF, 2.39 MB

2015

27

Local Control Theory using Trajectory Surface Hopping and Linear-Response Time-Dependent Density Functional Theory

Curchod, Basile F. E., Penfold, Thomas J., Rothlisberger, Ursula, Tavernelli, Ivano

Journal:

CHIMIA International Journal for Chemistry

Year:

2013

Language:

english

File:

PDF, 214 KB

english, 2013

28

Excited-State Molecular Dynamics Triggered by Light Pulses – Ab Initio Multiple Spawning vs Trajectory Surface Hopping

Mignolet, Benoit, Curchod, Basile F. E.

Journal:

Journal of Physical Chemistry A

Year:

2019

File:

PDF, 2.27 MB

2019

29

Influence of Halogen Atoms on a Homologous Series of Bis-Cyclometalated Iridium(III) Complexes

Baranoff, Etienne, Curchod, Basile F. E., Monti, Filippo, Steimer, Frédéric, Accorsi, Gianluca, Tavernelli, Ivano, Rothlisberger, Ursula, Scopelliti, Rosario, Grätzel, Michael, Nazeeruddin, Md. Khaja

Journal:

Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 4.24 MB

english, 2012

30

Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm–Dancoff approximation and beyond

Tavernelli, Ivano, Curchod, Basile F. E., Laktionov, Andrey, Rothlisberger, Ursula

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 615 KB

english, 2010

31

Capturing the interplay between spin-orbit coupling and non-Condon effects on the photoabsorption spectra of Ru and Os dyes

Keane, Theo, Rees, Thomas Wheildon, Baranoff, Etienne David, Curchod, Basile

Journal:

Journal of Materials Chemistry C

Year:

2019

File:

PDF, 2.88 MB

2019

32

Local Control Theory in Trajectory Surface Hopping Dynamics Applied to the Excited-State Proton Transfer of 4-Hydroxyacridine

Curchod, Basile F. E., Penfold, Thomas J., Rothlisberger, Ursula, Tavernelli, Ivano

Journal:

Year:

2015

Language:

english

File:

PDF, 2.10 MB

english, 2015

33

An exact factorization perspective on quantum interferences in nonadiabatic dynamics

Curchod, Basile F. E., Agostini, Federica, Gross, E. K. U.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.09 MB

english, 2016

34

Local control theory in trajectory-based nonadiabatic dynamics

Curchod, Basile F. E., Penfold, Thomas J., Rothlisberger, Ursula, Tavernelli, Ivano

Journal:

Physical Review A

Year:

2011

Language:

english

File:

PDF, 837 KB

english, 2011

35

Mechanical (QM/MM) Simulations of Adiabatic and Nonadiabatic Ultrafast Phenomena

Curchod, Basile F. E., Campomanes, Pabloc, Laktionov, Andrey, Neri, Marilisa, Penfold, Thomas J., Vanni, Stefano, Tavernelli, Ivano, Rothlisberger, Ursula

Journal:

CHIMIA International Journal for Chemistry

Year:

2011

Language:

english

File:

PDF, 653 KB

english, 2011

36

Geometric and electronic structure probed along the isomerisation coordinate of a photoactive yellow protein chromophore

AnstÃ¶ter, Cate S., Curchod, Basile F. E., Verlet, Jan R. R.

Journal:

Nature Communications

Year:

2020

File:

PDF, 1.26 MB

2020

37

FIrpic: archetypal blue phosphorescent emitter for electroluminescence

Baranoff, Etienne, Curchod, Basile F. E.

Journal:

Dalton Transactions

Year:

2015

Language:

english

File:

PDF, 1.68 MB

english, 2015

38

Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins

Eymann, Léonard Y. M., Varava, Paul, Shved, Andrei M., Curchod, Basile F. E., Liu, Yizhu, Planes, Ophélie M., Sienkiewicz, Andrzej, Scopelliti, Rosario, Fadaei Tirani, Farzaneh, Severin, Kay

Journal:

Journal of the American Chemical Society

Year:

2020

File:

PDF, 255 KB

2020

39

Communication: XFAIMS—eXternal Field Ab Initio Multiple Spawning for electron-nuclear dynamics triggered by short laser pulses

Mignolet, Benoit, Curchod, Basile F. E., Martínez, Todd J.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 4.04 MB

english, 2016

40

Spin Changes Accompany Ultrafast Structural Interconversion in the Ground State of a Cobalt Nitrosyl Complex

Marroux, Hugo J. B., Curchod, Basile F. E., Faradji, Charly A., Shuttleworth, Timothy A., Sparkes, Hazel A., Pringle, Paul G., Orr-Ewing, Andrew J.

Journal:

Angewandte Chemie International Edition

Year:

2017

Language:

english

File:

PDF, 1.88 MB

english, 2017

41

Azo-MICs: Redox-Active Mesoionic Carbene Ligands Derived from Azoimidazolium Dyes

Chadwick, Mark, Curchod, Basile F. E., Scopelliti, Rosario, Fadaei Tirani, Farzaneh, Solari, Euro, Severin, Kay

Journal:

Angewandte Chemie International Edition

Year:

2018

Language:

english

File:

PDF, 946 KB

english, 2018

42

Excited-state dynamics of molecules with classically driven trajectories and Gaussians

Ibele, Lea M., Nicolson, Angus, Curchod, Basile F. E.

Journal:

Molecular Physics

Year:

2019

File:

PDF, 2.44 MB

2019

43

Electron-Nuclear Entanglement in the Time-Dependent Molecular Wavefunction

Agostini, Federica, Gross, E.K.U., Curchod, Basile F.E.

Journal:

Computational and Theoretical Chemistry

Year:

2019

File:

PDF, 2.20 MB

2019

44

Reactions of Alkynes with [RuCl(cyclopentadienyl)] Complexes: The Important First Steps

Barnali Dutta, Basile F. E. Curchod, Pablo Campomanes, Euro Solari, Rosario Scopelliti, Ursula Rothlisberger, Kay Severin

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 543 KB

english, 2010

45

A Simple Approach to Room Temperature Phosphorescent Allenylidene Complexes

Dr. Florian Kessler, Basile F. E. Curchod, Dr. Ivano Tavernelli, Prof. Ursula Rothlisberger, Dr. Rosario Scopelliti, Dr. Davide Di Censo, Prof. Michael Grätzel, Dr. Md. Khaja Nazeeruddin, Dr. Etienne

Journal:

Angewandte Chemie

Year:

2012

Language:

english

File:

PDF, 804 KB

english, 2012

46

Simulations of X-ray absorption spectra: the effect of the solvent

Penfold, Thomas J., Curchod, Basile F. E., Tavernelli, Ivano, Abela, Rafael, Rothlisberger, Ursula, Chergui, Majed

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.27 MB

english, 2012

47

Ab Initio Multiple Spawning Photochemical Dynamics of DMABN Using GPUs

Curchod, Basile F. E., Sisto, Aaron, Martínez, Todd J.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 22.48 MB

english, 2017

48

Ultrafast isomerization in acetylene dication after carbon K-shell ionization

Li, Zheng, Inhester, Ludger, Liekhus-Schmaltz, Chelsea, Curchod, Basile F. E., Snyder, James W., Medvedev, Nikita, Cryan, James, Osipov, Timur, Pabst, Stefan, Vendrell, Oriol, Bucksbaum, Phil, Martine

Journal:

Nature Communications

Year:

2017

Language:

english

File:

PDF, 1.62 MB

english, 2017

49

Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds

Prlj, Antonio, Curchod, Basile F. E., Fabrizio, Alberto, Floryan, Leonard, Corminboeuf, Clémence

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 1.32 MB

english, 2015

50

On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping

Curchod, Basile F. E., Tavernelli, Ivano

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.64 MB

english, 2013

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