You Lu

You Lu

Science and Technology Facilities Council - / United Kingdom
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 4461648
person_outline You Lu's MOST POPULAR ARTICLES
1-) QM/MM Nonadiabatic Decay Dynamics of 9H‐Adenine in Aqueous Solution ChemPhysChem 12 (10), 1989-1998, 2011
2-) Hydrogen bonding regulates the monomeric nonradiative decay of adenine in DNA strands Angewandte Chemie International Edition 50 (30), 6864-6867, 2011
3-) Open-source, python-based redevelopment of the ChemShell multiscale QM/MM environment Journal of chemical theory and computation 15 (2), 1317-1328, 2018
4-) Semiempirical quantum-chemical orthogonalization-corrected methods: benchmarks of electronically excited states Journal of Chemical Theory and Computation 12 (9), 4400-4422, 2016
5-) Efficient calculation of electronic absorption spectra by means of intensity-selected time-dependent density functional tight binding Journal of chemical theory and computation 11 (1), 157-167, 2015