Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution.

Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution.

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http://www.wikidata.org/entity/Q40303892
Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin.Accurate Excited-State Geometries: A CASPT2 and Coupled-Cluster Reference Database for Small Molecules.Electronic structure and absorption spectra of fluorescent nucleoside analogues.Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation.Influence of intermolecular interactions on solid state luminescence of imidazopyridines: theoretical interpretations using FMO-TDDFT and ONIOM approaches.Conformation controlled turn on-turn off phosphorescence in a metal-free biluminophore: thriving the paradox that exists for organic compounds.Effect of chromophore encapsulation on linear and nonlinear optical properties: the case of "miniSOG", a protein-encased flavin.
P2860

Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution.

Item
http://www.wikidata.org/entity/Q40303892
description
2013 nî lūn-bûn
@nan
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
2013年论文
@zh
2013年论文
@zh-cn
name
Benchmarking Time-Dependent De ...... in Gas-Phase and in Solution.
@en
type
label
Benchmarking Time-Dependent De ...... in Gas-Phase and in Solution.
@en
prefLabel
Benchmarking Time-Dependent De ...... in Gas-Phase and in Solution.
@en
P1433
P1476
P2093
P304
P31
P356
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
Benchmarking Time-Dependent De ...... in Gas-Phase and in Solution.
@en
P2093
P304
P31
P356
P433
P478
P50
P577
P5875
P698