Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.

Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.

Item
http://www.wikidata.org/entity/Q38500947
Quality Assessment of Predicted Protein Models Using Energies Calculated by the Fragment Molecular Orbital Method.Exploring chemistry with the fragment molecular orbital method.Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems.FMO-MD simulations on the hydration of formaldehyde in water solution with constraint dynamics.Three-body expansion of the fragment molecular orbital method combined with density-functional tight-binding.Analytic energy gradient for second-order Møller-Plesset perturbation theory based on the fragment molecular orbital method.Fully analytic energy gradient in the fragment molecular orbital method.Reconsidering an analytical gradient expression within a divide-and-conquer self-consistent field approach: exact formula and its approximate treatment.
P2860

Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.

Item
http://www.wikidata.org/entity/Q38500947
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
2009年论文
@zh
2009年论文
@zh-cn
name
Fragment Molecular Orbital met ...... actions in explicit solvation.
@en
type
label
Fragment Molecular Orbital met ...... actions in explicit solvation.
@en
prefLabel
Fragment Molecular Orbital met ...... actions in explicit solvation.
@en
P1433
P1476
P2093
P304
P31
P356
P433
P478
P50
P577
P698
P356
P1433
P1476
Fragment Molecular Orbital met ...... eactions in explicit solvation
@en
P2093
P304
P31
P356
P433
P478
P50
P577
P698