Details
Title
Tapavicza, Enrico Marko
Sciper ID
161693
Affiliated labs
LCBC
Publications
Ab Initio Excited State Properties and Dynamics of a Prototype sigma-Bridged-Donor-Acceptor Molecule
Development of a non-adiabatic ab initio molecular dynamics method and its application to photodynamical processes
Mixed Time-Dependent Density-Functional/Classical Trajectory Study of Oxirane Photochemistry
Non-adiabatic Dynamics Using Time-Dependent Density Functional Theory: assessing the Coupling Strengths
Non-adiabatic coupling vectors within linear response time-dependent density functional theory
Quantum mechanical/molecular mechanical (QM/MM) Car-Parrinello simulations in excited states
Study of weakly bonded carbon compounds using dispersion corrected density functional theory
Trajectory surface hopping within linear response time-dependent density functional theory
Tuning the efficacy of ruthenium(II)-arene (RAPTA) antitumour compounds with fluorinated arene ligands
Development of a non-adiabatic ab initio molecular dynamics method and its application to photodynamical processes
Mixed Time-Dependent Density-Functional/Classical Trajectory Study of Oxirane Photochemistry
Non-adiabatic Dynamics Using Time-Dependent Density Functional Theory: assessing the Coupling Strengths
Non-adiabatic coupling vectors within linear response time-dependent density functional theory
Quantum mechanical/molecular mechanical (QM/MM) Car-Parrinello simulations in excited states
Study of weakly bonded carbon compounds using dispersion corrected density functional theory
Trajectory surface hopping within linear response time-dependent density functional theory
Tuning the efficacy of ruthenium(II)-arene (RAPTA) antitumour compounds with fluorinated arene ligands
Use for
Tapavicza, E
Tapavicza, E.
Tapavicza, Enrico
Tapavicza, E.
Tapavicza, Enrico
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