Ab Initio Nonadiabatic Quantum Molecular Dynamics von Curchod, Basile F. E, Martínez, Todd J

Volltext

FIrpic: archetypal blue phosphorescent emitter for electroluminescence von Baranoff, Etienne, Curchod, Basile F. E

Volltext

Different flavors of nonadiabatic molecular dynamics von Agostini, Federica, Curchod, Basile F. E.

Volltext

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

Volltext

A molecular perspective on Tully models for nonadiabatic dynamics von Ibele, Lea M, Curchod, Basile F. E

Volltext

On the Dynamics through a Conical Intersection von Curchod, Basile F. E, Agostini, Federica

Volltext

Trajectory-Based Nonadiabatic Dynamics with Time-Dependent Density Functional Theory von Curchod, Basile F. E., Rothlisberger, Ursula, Tavernelli, Ivano

Volltext

A walk through the approximations of ab initio multiple spawning von Mignolet, Benoit, Curchod, Basile F. E.

Volltext

Excited-State Molecular Dynamics Triggered by Light PulsesAb Initio Multiple Spawning vs Trajectory Surface Hopping von Mignolet, Benoit, Curchod, Basile F. E

Volltext

AIMSWISS—Ab initio multiple spawning with informed stochastic selections von Lassmann, Yorick, Curchod, Basile F. E.

Volltext

Caveat when using ADC(2) for studying the photochemistry of carbonyl-containing molecules von Marsili, Emanuele, Prlj, Antonio, Curchod, Basile F. E

Volltext

AtmoSpec–A Tool to Calculate Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds von Hollas, Daniel, Curchod, Basile F. E.

Volltext

On the description of conical intersections between excited electronic states with LR-TDDFT and ADC(2) von Taylor, Jack T., Tozer, David J., Curchod, Basile F. E.

Volltext

On the Theoretical Determination of Photolysis Properties for Atmospheric Volatile Organic Compounds von Prlj, Antonio, Ibele, Lea M, Marsili, Emanuele, Curchod, Basile F. E

Volltext

A Photochemical Reaction in Different Theoretical Representations von Ibele, Lea M, Curchod, Basile F. E, Agostini, Federica

Volltext

Acid-Induced Degradation of Phosphorescent Dopants for OLEDs and Its Application to the Synthesis of Tris-heteroleptic Iridium(III) Bis-cyclometalated Complexes von Baranoff, Etienne, Curchod, Basile F. E, Frey, Julien, Scopelliti, Rosario, Kessler, Florian, Tavernelli, Ivano, Rothlisberger, Ursula, Grätzel, Michael, Nazeeruddin, Md. Khaja

Volltext

Deciphering the Influence of Ground-State Distributions on the Calculation of Photolysis Observables von Prlj, Antonio, Hollas, Daniel, Curchod, Basile F. E.

Volltext

Photochemistry of the pyruvate anion produces CO2, CO, CH3–, CH3, and a low energy electron von Clarke, Connor J., Gibbard, Jemma A., Hutton, Lewis, Verlet, Jan R. R., Curchod, Basile F. E.

Volltext

Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cyclopropanone, fulvene, and dithiane von Ibele, Lea M., Lassmann, Yorick, Martínez, Todd J., Curchod, Basile F. E.

Volltext

Communication: XFAIMS—eXternal Field Ab Initio Multiple Spawning for electron-nuclear dynamics triggered by short laser pulses von Mignolet, Benoit, Curchod, Basile F. E., Martínez, Todd J.

Volltext