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Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday
| Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday |
| Autore | Chermette Henry |
| Pubbl/distr/stampa | Basel, : MDPI Books, 2022 |
| Descrizione fisica | 1 electronic resource (264 p.) |
| Soggetto topico |
Research & information: general
Chemistry Physical chemistry |
| Soggetto non controllato |
density functional theory
Coulomb systems excited states nodal variational principle DFT anatase TiO2(101) surface adsorption energy Bader charge helium atom screened Coulomb potential variational Monte Carlo method Lagrange mesh method comparison theorem TD-DFT MC-PDFT Lie-Clementi Colle-Salvetti OLEDs subphthalocyanines UV-visible spectra axial substituents peripheral substituents time-dependent DFT hexatetra-carbon electrical properties molecular aggregates singlet excitons triplet excitons TDDFT charge-transfer states charge-resonance states Frenkel states localized excitations diabatic states adiabatic states semiconductors oscillator strength hybrid exchange-correlation functional non-local potential statistics methods comparison benchmarking band gaps atomization energy DFT codes electronic structure calculation numerical accuracy and precision kinetic functional Yukawa potential periodic DFTB deMonNano graphene graphite benzene dimers deposited benzene supported clusters weighted mulliken charges LAPW method APW+lo method all-electron DFT density matrix functional embedding density-functional theory householder transformation He atomic basis sets helium dimer He2 potential well correlation energy complete basis set sigma basis set atomic multiplet theory crystal/ligand-field theory coordination compounds electronic structure Cu2OCl2 Cu2OBr2 Cu2OI2 oxyhalides magnetic couplings Néel temperature chemical pressure NMR machine learning zeolites |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910595067303321 |
Chermette Henry
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| Basel, : MDPI Books, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Special Issue Dedicated to Late Professor Takuo Okuda. Tannins and Related Polyphenols Revisited: Chemistry, Biochemistry and Biological Activities
| Special Issue Dedicated to Late Professor Takuo Okuda. Tannins and Related Polyphenols Revisited: Chemistry, Biochemistry and Biological Activities |
| Autore | Yoshida Takashi |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (316 p.) |
| Soggetto non controllato |
Coreopsis lanceolata L.
UV-Vis methanogenesis Lythraceae flavanone grape marc TDDFT Ephedra sinica macrocyclic oligomer triple-negative breast cancer antioxidant purple prairie clover chalcone neuraminidase fatty acid synthase (?)-epigallocatechin gallate epidermal growth factor NMR spectroscopy Aluminum ion Onagraceae Hydrangea macrophylla synthetic analogues blue color development amyloid-? peptide FTIR oseltamivir carboxylate quantitative NMR phloroglucinolysis thin layer chromatography European historic leathers FASN inhibition ECD colorimetric tests taxanes cynandione A conservation method 5-O-caffeoylquinic acid ellagitannin PC12 condensed tannin Trapa taiwanensis Nakai 1H-NMR Acacia (?)-epigallocatechin 3-gallate Geranium thunbergii condensed tannins immunomodulatory effect Acacia mearnsii bark Escherichia coli oligomer Horner–Wadsworth–Emmons reaction lung tumor Aspergillus fumigates in vitro batch fermentation metal complex Myrtaceae Cynanchum auriculatum molecular interactions phenolic glycoside bamboo leaf extract stability Microsporum canis Cynanchum wilfordii thiolysis anti-inflammation hydrolysable tannin geraniin NGF polyphenol revision ESI-mass bioactivity antifungal activities interferon-? antitumor effect tannin composition oenothein B zanamivir 2-O-?-laminaribiosyl-4-hydroxyacetophenone anticancer activity proanthocyanidin vegetable tanning Dittrichia viscosa differentiation aurone antioxidants protein precipitation apoptosis polyphenolic FASN inhibitors forage legume biological activities ultrahigh-resolution negative mode MALDI-TOF mass spectrometry overlay method spectroscopy wattle tannin immune checkpoint hormesis 3-O-glucosyldelphinidin gallotannin proanthocyanidins fatty acids flavonol inhibition structure Candida spp Malassezia spp ORAC assay neuroprotection crystal structure tannins |
| ISBN | 3-03897-835-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Special Issue Dedicated to Late Professor Takuo Okuda. Tannins and Related Polyphenols Revisited |
| Record Nr. | UNINA-9910346671803321 |
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Yoshida Takashi
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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