FMO-MD simulations on the hydration of formaldehyde in water solution with constraint dynamics.
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Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems.Adsorption and oxidation of formaldehyde on a polycrystalline Pt film electrode: An in situ IR spectroscopy search for adsorbed reaction intermediatesAnalytic second derivatives of the energy in the fragment molecular orbital method.Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration
P2860
FMO-MD simulations on the hydration of formaldehyde in water solution with constraint dynamics.
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name
FMO-MD simulations on the hydr ...... tion with constraint dynamics.
@en
type
label
FMO-MD simulations on the hydr ...... tion with constraint dynamics.
@en
prefLabel
FMO-MD simulations on the hydr ...... tion with constraint dynamics.
@en
P2093
P2860
P356
P1476
FMO-MD simulations on the hydr ...... tion with constraint dynamics.
@en
P2093
Hiroshi Yamataka
Makoto Sato
Yuji Mochizuki
Yuto Komeiji
P2860
P304
P356
10.1002/CHEM.201200874
P407
P577
2012-07-02T00:00:00Z