Solvent-induced frequency shifts: configuration interaction singles combined with the effective fragment potential method.

Solvent-induced frequency shifts: configuration interaction singles combined with the effective fragment potential method.

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http://www.wikidata.org/entity/Q43043100
Effective fragment potential method in Q-CHEM: a guide for users and developers.LIBEFP: A new parallel implementation of the effective fragment potential method as a portable software library.Effect of solvation on the vertical ionization energy of thymine: from microhydration to bulk.Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II.Towards Massively Parallel Computations using Smooth Particle Mesh Ewald.Polarizable embedding with a multiconfiguration short-range density functional theory linear response method.Noncovalent interactions in extended systems described by the effective fragment potential method: theory and application to nucleobase oligomers.Coupled-cluster based approach for core-level states in condensed phase: Theory and application to different protonated forms of aqueous glycine.Investigation of the hydrated 7-hydroxy-4-methylcoumarin dimer by combined IR/UV spectroscopy.An interaction energy driven biased sampling technique: A faster route to ionization spectra in condensed phase.Optimizing conical intersections of solvated molecules: the combined spin-flip density functional theory/effective fragment potential method.Perturbative approximation to hybrid equation of motion coupled cluster/effective fragment potential method.The multi-configuration self-consistent field method within a polarizable embedded framework.
P2860

Solvent-induced frequency shifts: configuration interaction singles combined with the effective fragment potential method.

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http://www.wikidata.org/entity/Q43043100
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2010 nî lūn-bûn
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Solvent-induced frequency shif ...... ive fragment potential method.
@en
Solvent-induced frequency shif ...... ive fragment potential method.
@nl
type
label
Solvent-induced frequency shif ...... ive fragment potential method.
@en
Solvent-induced frequency shif ...... ive fragment potential method.
@nl
prefLabel
Solvent-induced frequency shif ...... ive fragment potential method.
@en
Solvent-induced frequency shif ...... ive fragment potential method.
@nl
P1433
P1476
P2093
P304
P31
P356
P407
P433
P478
P577
P698
P356
P1433
P1476
Solvent-induced frequency shif ...... ive fragment potential method.
@en
P2093
P304
P31
P356
P407
P433
P478
P577
P698