Basile F. E. Curchod: 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

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

4

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

5

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

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

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

8

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

9

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

10

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

11

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

12

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

13

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 International Edition

Year:

2012

Language:

english

File:

PDF, 815 KB

english, 2012

14

Nonadiabatic molecular dynamics with solvent effects: A LR-TDDFT QM/MM study of ruthenium (II) tris (bipyridine) in water

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

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 914 KB

english, 2011

15

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

16

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

17

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

18

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

19

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

20

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

21

Unravelling the Potential for Dithienopyrrole Sensitizers in Dye-Sensitized Solar Cells

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

Journal:

Chemistry of Materials

Year:

2013

Language:

english

File:

PDF, 1.19 MB

english, 2013

22

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

23

Nanocomposites Containing Neutral Blue Emitting Cyclometalated Iridium(III) Emitters for Oxygen Sensing

Marín-Suárez, Marta, Curchod, Basile F. E., Tavernelli, Ivano, Rothlisberger, Ursula, Scopelliti, Rosario, Jung, Il, Di Censo, Davide, Grätzel, Michael, Fernández-Sánchez, Jorge Fernando, Fernández-Gu

Journal:

Chemistry of Materials

Year:

2012

Language:

english

File:

PDF, 2.61 MB

english, 2012

24

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

25

Derivation of spin-orbit couplings in collinear linear-response TDDFT: A rigorous formulation

Franco de Carvalho, Felipe, Curchod, Basile F. E., Penfold, Thomas J., Tavernelli, Ivano

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 710 KB

english, 2014

26

The Charge Transfer Problem in Density Functional Theory Calculations of Aqueously Solvated Molecules

Isborn, Christine M., Mar, Brendan D., Curchod, Basile F. E., Tavernelli, Ivano, Martínez, Todd J.

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 4.28 MB

english, 2013

27

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

28

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

29

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

30

Erratum: Local control theory in trajectory-based nonadiabatic dynamics [Phys. Rev. A 84 , 042507 (2011)]

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

Journal:

Physical Review A

Year:

2012

Language:

english

File:

PDF, 29 KB

english, 2012

31

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

32

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

33

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

34

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

35

[OSA High Intensity Lasers and High Field Phenomena - Berlin, Germany (2012..-..)] Research in Optical Sciences - TD-DFT Molecular Dynamics simulations of ultrafast processes

Lopez-Tarifa, Pablo, Curchod, Basile, Tavernelli, Ivano, Rothlisberger, Ursula

Year:

2012

Language:

english

File:

PDF, 621 KB

english, 2012

36

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

37

Pushing the Frontiers of First-Principles Based Computer Simulations of Chemical and Biological Systems

Brunk, Elizabeth, Ashari, Negar, Athri, Prashanth, Campomanes, Pablo, de Carvalho, F. Franco, Curchod, Basile F. E., Diamantis, Polydefkis, Doemer, Manuel, Garrec, Julian, Laktionov, Andrey, Micciarel

Journal:

CHIMIA International Journal for Chemistry

Year:

2011

Language:

english

File:

PDF, 657 KB

english, 2011

38

Synthesis, characterization and ab initio investigation of a panchromatic ullazine–porphyrin photosensitizer for dye-sensitized solar cells

Mathew, Simon, Ashari-Astani, Negar, Curchod, Basile F.E., Delcamp, Jared, Marszalek, Magdalena, Frey, Julien, Rothlisberger, U, Mohammad K., Nazeeruddin,, Grätzel, Michael

Journal:

Journal of Materials Chemistry A

Year:

2016

Language:

english

File:

PDF, 1.74 MB

english, 2016

39

Excited State Dynamics with Quantum Trajectories

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

Journal:

CHIMIA International Journal for Chemistry

Year:

2012

Language:

english

File:

PDF, 449 KB

english, 2012

40

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

41

Surface functionalization of dinuclear clathrochelates via Pd-catalyzed cross-coupling reactions: facile synthesis of polypyridyl metalloligands

Marmier, Mathieu, Cecot, Giacomo, Curchod, Basile F. E., Pattison, Philip, Solari, Euro, Scopelliti, Rosario, Severin, Kay

Journal:

Dalton Transactions

Year:

2016

Language:

english

File:

PDF, 859 KB

english, 2016

42

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

43

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

44

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

Year:

2013

Language:

english

File:

PDF, 566 KB

english, 2013

45

Rich Athermal Ground-State Chemistry Triggered by Dynamics through a Conical Intersection

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

Journal:

Angewandte Chemie International Edition

Year:

2016

Language:

english

File:

PDF, 1.49 MB

english, 2016

46

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

47

Communication: GAIMS—Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes

Curchod, Basile F. E., Rauer, Clemens, Marquetand, Philipp, González, Leticia, Martínez, Todd J.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.49 MB

english, 2016

48

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

49

Rich Athermal Ground-State Chemistry Triggered by Dynamics through a Conical Intersection

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

Journal:

Angewandte Chemie

Year:

2016

Language:

english

File:

PDF, 2.21 MB

english, 2016

50

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

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