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51

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

52

Synthesis and Characterization of a Series of Bis-homoleptic Cycloruthenates with Terdentate Ligands as a Family of Panchromatic Dyes

Rees, Thomas W., Liao, JinFeng, Sinopoli, Alessandro, Male, Louise, Calogero, Giuseppe, Curchod, Basile F.E., Baranoff, Etienne

Journal:

Inorganic Chemistry

Year:

2017

Language:

english

File:

PDF, 2.81 MB

english, 2017

53

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

54

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

55

Pushing the Limits of EOM-CCSD with Projector-Based Embedding for Excitation Energies

Bennie, Simon Jonathan, Curchod, Basile F. E., Manby, Frederick R., Glowacki, David Ryan

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 4.92 MB

english, 2017

56

Criegee Intermediate–Alcohol Reactions, A Potential Source of Functionalized Hydroperoxides in the Atmosphere

McGillen, Max R., Curchod, Basile F.E., Chhantyal-Pun, Rabi, Beames, Joseph M, Watson, Nathan, Khan, M Anwar H H., McMahon, Laura, Shallcross, Dudley E., Orr-Ewing, Andrew J.

Journal:

ACS Earth and Space Chemistry

Year:

2017

Language:

english

File:

PDF, 2.91 MB

english, 2017

57

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

58

On the Importance of Initial Conditions for Excited-State Dynamics

Suchan, Jiří, Hollas, Daniel, Curchod, Basile, Slavicek, Petr

Journal:

Faraday Discussions

Year:

2018

Language:

english

File:

PDF, 1.78 MB

english, 2018

59

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

60

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

61

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

62

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

63

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

64

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

65

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

Language:

english

File:

PDF, 2.88 MB

english, 2019

66

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

67

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

68

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

69

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

70

Modulation of Charge Transfer by N -Alkylation to Control Photoluminescence Energy and Quantum Yield

Turley, Andrew, Danos, Andrew, Prlj, Antonio, Monkman, Andrew P, Curchod, Basile, McGonigal, Paul R, Etherington, Marc Kenneth

Journal:

Chemical Science

Year:

2020

File:

PDF, 1.35 MB

2020

71

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

72

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

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