The adaptive buffered force QM/MM method in the CP2K and amber software packages
- Letif Mones
- A. Jones
- et al.
- 2015
- Journal of Computational Chemistry
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128 results for Teodoro Laino
Solid-state electrolytes: Revealing the mechanisms of Li-Ion conduction in tetragonal and cubic LLZO by first-principles calculations
- Katharina Meier
- Teodoro Laino
- et al.
- 2014
- Journal of Physical Chemistry C
Significant substituent effect on the anomerization of pyranosides: Mechanism of anomerization and synthesis of a 1,2-cis glucosamine oligomer from the 1,2-trans anomer
- Shino Manabe
- Hiroko Satoh
- et al.
- 2013
- Chemistry - A European Journal
Chemical reactivity of aprotic electrolytes on a solid Li2O 2 surface: Screening solvents for Li-air batteries
- 2013
- New Journal of Physics
Improved coarse-grained model for molecular-dynamics simulations of water nucleation
- Federico Zipoli
- Teodoro Laino
- et al.
- 2013
- Journal of Chemical Physics
Stereoretentive chlorination of cyclic alcohols catalyzed by titanium(IV) tetrachloride: Evidence for a front side attack mechanism
- Deboprosad Mondal
- Song Ye Li
- et al.
- 2013
- Journal of Organic Chemistry
Modeling the impact of solid surfaces in thermal degradation processes
- Christian Tuma
- Teodoro Laino
- et al.
- 2012
- ChemPhysChem
Reaction dynamics of atp hydrolysis in actin determined by ab initio molecular dynamics simulations
- Holly Freedman
- Teodoro Laino
- et al.
- 2012
- JCTC
Understanding the self-healing hydrophobic recovery of high-voltage insulators
- Philip T. Shemella
- Teodoro Laino
- et al.
- 2012
- Journal of Physical Chemistry B
Mechanisms of propylene glycol and triacetin pyrolysis
- Teodoro Laino
- Christian Tuma
- et al.
- 2012
- Journal of Physical Chemistry A