ERD

Periodic Reporting for period 3 - SINDAM (Sunlight-Induced Nonadiabatic Dynamics of Atmospheric Molecules)

Project: SINDAM

Updated at: 01-10-2024

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Project acronym SINDAM

A Theoretical Perspective on the Actinic Photochemistry of 2-Hydroperoxypropanal

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Caveat when using ADC(2) for studying the photochemistry of carbonyl-containing molecules

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

AIMSWISS— Ab initio multiple spawning with informed stochastic selections

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Dynamics near a conical intersection - a diabolical compromise for the approximations of ab initio multiple spawning

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Calculating Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Atmospheric oxidation of new “green” solvents – Part 2: methyl pivalate and pinacolone

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Tracking the ultraviolet-induced photochemistry of thiophenone during and after ultrafast ring opening

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cy...

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Chemistry without the Born–Oppenheimer approximation

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Probing the sensitivity of ab initio multiple spawning to its parameters

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

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

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

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

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

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

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

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

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Nonadiabatic Kinetics in the Intermediate Coupling Regime: Comparing Molecular Dynamics to an Energy-Grained Master Equa...

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Photochemistry of the pyruvate anion produces CO2, CO, CH3–, CH3, and a low energy electron

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

A Photochemical Reaction in Different Theoretical Representations

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Photo-isomerization of the isolated photoactive yellow protein chromophore: what comes before the primary step?

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

A molecular perspective on Tully models for nonadiabatic dynamics

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic Dynamics

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Extending the Applicability of the Multiple-Spawning Framework for Nonadiabatic Molecular Dynamics.

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

Deciphering the Influence of Ground-State Distributions on the Calculation of Photolysis Observables

Project: SINDAM

Updated at: 27-04-2024

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Project acronym SINDAM

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Periodic Reporting for period 3 - SINDAM (Sunlight-Induced Nonadiabatic Dynamics of Atmospheric Molecules)

A Theoretical Perspective on the Actinic Photochemistry of 2-Hydroperoxypropanal

Caveat when using ADC(2) for studying the photochemistry of carbonyl-containing molecules

AIMSWISS— Ab initio multiple spawning with informed stochastic selections

Dynamics near a conical intersection - a diabolical compromise for the approximations of ab initio multiple spawning

Calculating Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds

Atmospheric oxidation of new “green” solvents – Part 2: methyl pivalate and pinacolone

Tracking the ultraviolet-induced photochemistry of thiophenone during and after ultrafast ring opening

Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cy...

Chemistry without the Born–Oppenheimer approximation

Probing the sensitivity of ab initio multiple spawning to its parameters

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

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

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

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

Nonadiabatic Kinetics in the Intermediate Coupling Regime: Comparing Molecular Dynamics to an Energy-Grained Master Equa...

Photochemistry of the pyruvate anion produces CO2, CO, CH3–, CH3, and a low energy electron

A Photochemical Reaction in Different Theoretical Representations

Photo-isomerization of the isolated photoactive yellow protein chromophore: what comes before the primary step?

A molecular perspective on Tully models for nonadiabatic dynamics

Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic Dynamics

Extending the Applicability of the Multiple-Spawning Framework for Nonadiabatic Molecular Dynamics.

Deciphering the Influence of Ground-State Distributions on the Calculation of Photolysis Observables