Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
Reaction kinetics
Density functional theory
2
Methanol
2
Oxide minerals
2
TiO
2
Titanium dioxide
2
Ab initio methodology
1
Activation barrier
1
Activation barriers
1
Activation energy
1
Adsorption
1
Adsorption energies
1
Amino acids
1
Aqueous solutions
1
Calculations
1
Car-Parrinello molecular dynamics simulations
1
Carbocation transition
1
Catalysis
1
Computer simulation
1
Continuum solvation models
1
Dissociation
1
Entropic contributions
1
Enzymes
1
Farnesyl pyrophosphate synthase
1
First-principles calculation
1
Formates
1
Formic acid
1
Free energy
1
Gasphase
1
Hydrogen Peroxide
1
-
1
-
2
-
3