LIBEFP: A new parallel implementation of the effective fragment potential method as a portable software library.

LIBEFP: A new parallel implementation of the effective fragment potential method as a portable software library.

Item
http://www.wikidata.org/entity/Q35026169
Molecular couplings and energy exchange between DNA and water mapped by femtosecond infrared spectroscopy of backbone vibrations.Hybrid MPI/OpenMP parallelization of the effective fragment potential method in the libefp software library.An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches.Molecular dynamics approaches to the design and synthesis of PCB targeting molecularly imprinted polymers: interference to monomer-template interactions in imprinting of 1,2,3-trichlorobenzene.Coupled-cluster based approach for core-level states in condensed phase: Theory and application to different protonated forms of aqueous glycine.Design principles from multiscale simulations to predict nanostructure in self-assembling ionic liquids.pyEFP: Automatic decomposition of the complex molecular systems into rigid polarizable fragments.Exploring the Solvatochromism of Betaine 30 with Ab Initio Tools: From Accurate Gas-Phase Calculations to Implicit and Explicit Solvation Models.Perturbative approximation to hybrid equation of motion coupled cluster/effective fragment potential method.
P2860

LIBEFP: A new parallel implementation of the effective fragment potential method as a portable software library.

Item
http://www.wikidata.org/entity/Q35026169
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2013 nî lūn-bûn
@nan
2013 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2013 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
name
LIBEFP: A new parallel impleme ...... s a portable software library.
@ast
LIBEFP: A new parallel impleme ...... s a portable software library.
@en
type
label
LIBEFP: A new parallel impleme ...... s a portable software library.
@ast
LIBEFP: A new parallel impleme ...... s a portable software library.
@en
prefLabel
LIBEFP: A new parallel impleme ...... s a portable software library.
@ast
LIBEFP: A new parallel impleme ...... s a portable software library.
@en
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P698
P356
P1433
P1476
LIBEFP: A new parallel impleme ...... as a portable software library
@en
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P698