Insights for an Accurate Comparison of Computational Data to Experimental Absorption and Emission Spectra: Beyond the Vertical Transition Approximation.
about
Solvatochromic Effects on the Absorption Spectrum of 2-ThiocytosineUltrafast resonance energy transfer in the umbelliferone-alizarin bichromophore.Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: the vertical transition approximation.Using non-empirically tuned range-separated functionals with simulated emission bands to model fluorescence lifetimes.A New Potent Inhibitor of Glycogen Phosphorylase Reveals the Basicity of the Catalytic Site.Vibronic-structure tracking: a shortcut for vibrationally resolved UV/Vis-spectra calculations.The lineshape of the electronic spectrum of the green fluorescent protein chromophore, part I: gas phase.A Combined Experimental-Computational Investigation to Uncover the Puzzling (Chiro-)optical Response of Pyridocyclophanes: One- and Two-Photon Spectra.Excited state characterization of carbonyl containing carotenoids: a comparison between single and multireference descriptions.Investigating the optical properties of BOIMPY dyes using ab initio tools.High-Energy Long-Lived Mixed Frenkel-Charge-Transfer Excitons: From Double Stranded (AT)n to Natural DNA.Disentangling vibronic and solvent broadening effects in the absorption spectra of coumarin derivatives for dye sensitized solar cells.Using Time-Dependent Density Functional Theory to Probe the Nature of Donor-Acceptor Stenhouse Adduct Photochromes.Ground and excited states of zinc phthalocyanine, zinc tetrabenzoporphyrin, and azaporphyrin analogs using DFT and TDDFT with Franck-Condon analysis.Inclusion of cybotactic effect in the theoretical modeling of absorption spectra of liquid-state systems with perturbed matrix method and molecular dynamics simulations: the UV–Vis absorption spectrum of para-nitroaniline as a case studySynthesis and Characterization of Ruffled Phosphorusmeso-Ester CorrolesGoing beyond the vertical approximation with time-dependent density functional theoryInvestigating the properties of PODIPYs (phosphorus-dipyrromethene) with ab initio toolsTheoretical spectroscopy of BASHY dyesExcited-states of BODIPY–cyanines: ultimate TD-DFT challenges?Vibronic spectra of organic electronic chromophores
P2860
Q33735443-DC2F7D36-5317-4EBB-91F9-18A6AE7E75F5Q43730149-EC2ED815-45EB-4917-B03E-01A975A77916Q44993194-F4177445-7B4A-4C3D-AE08-DA38355E3777Q47875717-05E17595-8473-4708-A0F3-B6927832785BQ48159055-78C1AEA2-40D4-4F94-A9C3-B77530CFDAC1Q48700732-14A53FCD-0D8D-4190-A9FE-693E4E7DF3B1Q50222536-28AB5AD5-A8FA-40FC-B089-DCADC6BECC1BQ50440412-9E8BB43F-4301-4ED4-8C1D-6AE998C48F79Q50573688-CE111343-9938-4441-AB37-AE351F16798DQ50738633-C6C51F3D-9590-44D1-8635-EB39068A0674Q53162520-B3AF78E5-8DD5-40D7-AA1D-AADCA0DE363EQ53169888-552EB9BB-924E-42F8-8243-5B287D712BEAQ53179928-9F678028-84DF-48F2-9209-3428B122ECEDQ53297958-0973ADBC-E0E1-48F2-9DD8-2228EB294CF1Q57508013-0A045FA8-733A-4E92-BEE7-2951CB0043C0Q57770198-B30375B2-5980-4314-BA38-4CF2BC6B44FAQ57770361-32491727-6D76-47B9-B1C2-2FEA21F86711Q57770379-849C419D-6A16-44C7-8A3D-2D5B0B26775FQ57770450-C75B2519-4C48-4BB7-8245-1A9FBA168C5EQ57770637-1F41D896-E1CF-4F2E-A478-BA458BC73FF9Q57770732-02CF51DF-EBA1-477D-90FB-F7A9848195CD
P2860
Insights for an Accurate Comparison of Computational Data to Experimental Absorption and Emission Spectra: Beyond the Vertical Transition Approximation.
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
Insights for an Accurate Compa ...... ical Transition Approximation.
@ast
Insights for an Accurate Compa ...... ical Transition Approximation.
@en
type
label
Insights for an Accurate Compa ...... ical Transition Approximation.
@ast
Insights for an Accurate Compa ...... ical Transition Approximation.
@en
prefLabel
Insights for an Accurate Compa ...... ical Transition Approximation.
@ast
Insights for an Accurate Compa ...... ical Transition Approximation.
@en
P50
P356
P1476
Insights for an Accurate Compa ...... tical Transition Approximation
@en
P2093
Emiliano Stendardo
P304
P356
10.1021/CT301107M
P577
2013-03-07T00:00:00Z