Quantum-classical effective-modes dynamics of the ππ* → nπ* decay in 9H-adenine. A quadratic vibronic coupling model

Hierarchical transformation of Hamiltonians with linear and quadratic couplings for nonadiabatic quantum dynamics: Application to the ππ*/nπ* internal conversion in thymine

(2012) David Picconi et al.   JOURNAL OF CHEMICAL PHYSICS

Critical appraisal of excited state nonadiabatic dynamics simulations of 9H-adenine

(2012) Mario Barbatti et al.   JOURNAL OF CHEMICAL PHYSICS

The Interplay between ππ*/nπ* Excited States in Gas-Phase Thymine: A Quantum Dynamical Study

(2011) David Picconi et al.   CHEMPHYSCHEM

Communication: Universal Markovian reduction of Brownian particle dynamics

(2011) R. Martinazzo et al.   JOURNAL OF CHEMICAL PHYSICS

Ionization potentials of adenine along the internal conversion pathways

(2011) Mario Barbatti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effective spectral densities for system-environment dynamics at conical intersections: S2–S1 conical intersection in pyrazine

(2010) Rocco Martinazzo et al.   CHEMICAL PHYSICS

Wavelength Dependence of Electronic Relaxation in Isolated Adenine Using UV Femtosecond Time-Resolved Photoelectron Spectroscopy†

(2010) Nicholas L. Evans et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Photochemistry of DNA Fragments via Semiclassical Nonadiabatic Dynamics

(2010) Anastassia N. Alexandrova et al.   JOURNAL OF PHYSICAL CHEMISTRY B

DNA/RNA: Building Blocks of Life Under UV Irradiation

(2010) Thomas Gustavsson et al.   Journal of Physical Chemistry Letters

Fluorescence of DNA Duplexes: From Model Helices to Natural DNA

(2010) Dimitra Markovitsi et al.   Journal of Physical Chemistry Letters

Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases

(2010) M. Barbatti et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Nonadiabatic Dynamics within Time-Dependent Density Functional Tight Binding Method†

(2009) Roland Mitrić et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quantum Dynamics of the Ultrafast ππ*/nπ* Population Transfer in Uracil and 5-Fluoro-Uracil in Water and Acetonitrile

(2009) Roberto Improta et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Deciphering Low Energy Deactivation Channels in Adenine

(2009) Irene Conti et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Three-dimensional diabatic models for the ππ* → nπ* excited-state decay of uracil derivatives in solution

(2009) Fabrizio Santoro et al.   THEORETICAL CHEMISTRY ACCOUNTS

DNA Excited-State Dynamics: From Single Bases to the Double Helix

(2008) Chris T. Middleton et al.   Annual Review of Physical Chemistry

Excited-State Dynamics of Isolated DNA Bases: A Case Study of Adenine

(2008) Christer Z. Bisgaard et al.   CHEMPHYSCHEM

Multimode quantum dynamics using Gaussian wavepackets: The Gaussian-based multiconfiguration time-dependent Hartree (G-MCTDH) method applied to the absorption spectrum of pyrazine

(2008) I. Burghardt et al.   JOURNAL OF CHEMICAL PHYSICS

Detailed Dynamics of the Nonradiative Deactivation of Adenine: A Semiclassical Dynamics Study

(2008) Yibo Lei et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nonradiative Deexcitation Dynamics of 9H-Adenine: An OM2 Surface Hopping Study

(2008) E. Fabiano et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nonadiabatic Deactivation of 9H-Adenine: A Comprehensive Picture Based on Mixed Quantum−Classical Dynamics

(2008) Mario Barbatti et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY