TY - JOUR
T1 - Challenges in Simulating Light-Induced Processes in DNA
AU - Marquetand, Philipp
AU - Nogueira Perez, Juan Jose
AU - Mai, Sebastian
AU - Plasser, Felix
AU - Gonzalez, Leticia
N1 - Publisher Copyright:
© 2016 by the authors; licensee MDPI, Basel, Switzerland.
PY - 2017/1
Y1 - 2017/1
KW - DNA
KW - photochemistry
KW - excited states
KW - simulation
KW - electronic structure
KW - ab initio molecular dynamics
KW - QM/MM
KW - theoretical chemistry
KW - EXCITED-STATE DYNAMICS
KW - DENSITY-FUNCTIONAL THEORY
KW - INITIO MOLECULAR-DYNAMICS
KW - RESOLVED PHOTOELECTRON-SPECTROSCOPY
KW - INTERSYSTEM CROSSING PATHWAYS
KW - MATRIX RENORMALIZATION-GROUP
KW - QUANTUM-CLASSICAL DYNAMICS
KW - NEURAL-NETWORK POTENTIALS
KW - SURFACE-HOPPING DYNAMICS
KW - EMPIRICAL FORCE-FIELD
KW - Electronic Structure
KW - Ab initio molecular dynamics
KW - Excited States
KW - Theoretical chemistry
KW - Simulation
KW - Photochemistry
UR - https://www.scopus.com/pages/publications/85009494266
U2 - 10.3390/molecules22010049
DO - 10.3390/molecules22010049
M3 - Article
SN - 1420-3049
VL - 22
JO - Molecules
JF - Molecules
IS - 1
M1 - 49
ER -