Keywords: AC; alternating current or asymptotically correct; ADF; Amsterdam density functional; AM1; Austin model 1 semi-empirical method; au; atomic units; BBO; β-barium borate; CC; coupled-cluster; CHF; coupled Hartree-Fock; CI; configuration interaction; CNDO
مقالات ISI (ترجمه نشده)
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Keywords: LE; low-energy; 3CC; triplet cluster-centered; XMCT; halide-to-metal charge transfer; XLCT; halogen-to-ligand charge transfer; MLCT; metal-to-ligand charge transfer; HE; high-energy; DFT; density functional theory; SCO; spin crossover; bib; 1,4-bis(1-imid
Keywords: 1,4-biyb; 1,4-bis(imidazol-1-ylmethyl)benzene; 2,6-ndc; 2,6-naphthalenedicarboxylate; 2-cmsnH2; 2-carboxymethylsulfanyl nicotinic acid; 3-dpye; N,Nâ²-bis(3-pyridinecarboxamide)-1,2-ethane; 4,4â²-bpy; 4,4â²-bipyridine; 4,4â²-obb; 4,4â²-oxybis(benzoate
Keywords: Alq3; tris(8-hydroxyquinolinato) aluminum(III); BCP; bathocuproine; BHJSCs; bulk heterojunction solar cells; BAlq-13; bis(2-methyl-quinolin-8-olato)(2,6-diphenylphenolato)aluminum(III); Bphen; bathophenanthroline; bpy; 2,2â²-bipyridine; bq; 2,2â²-biquin
Keywords: DMSO; dimethylsulphoxide; TD-DFT; time-dependent density functional theory; ILCT; intraligand charge transfer; TRIR; time-resolved infra-red; LLCT; interligand charge transfer; THF; tetrahydrofuran; Bn; benzyl; Ph; phenyl; dfppyH; 2-(2,4-difluorophenyl)py
Functional coordination polymers based on redox-active tetrathiafulvalene and its derivatives
Keywords: CP; coordination polymer; MOFs; metal-organic frameworks; PCPs; porous coordination polymers; TTF; tetrathiafulvalene; IPCT; ion pair charge-transfer; MV; methyl viologen; DMF; N,Nâ²-dimethylformamide; H2trioTTF, 2-(5; 6,8,9,11,12,14,15-octahydro-[1,3]
The chameleon-like coordinating ability of 2,3-di(pyridyl)pyrazine-type ligands
Keywords: BL; bridging ligand; DCM; dichloromethane; DFT; density functional theory; DMF; N,N-dimethylformamide; fsTA; femtosecond transient absorption spectra; LLCT; ligand-to-ligand charge-transfer; MeCN; acetonitrile; Meim; 1-methylimidazole; MLCT; metal-to-liga
Keywords: Elasticity imaging techniques; Capsule opacification; Sus scrofa domesticus; Lens accommodation; Lens refilling; CO; Capsular opacification; PCO; Posterior capsular opacification; IOL; Intraocular lens; LECs; Lens epithelial cells; LLCT; Low load compress
Keywords: Optical materials; Thin films; Vacuum deposition; Electrochemical properties; DFT; density functional theory; LEC; light-emitting electrochemical cell; CIE; Commission Internationale de L'Eclairage; OLED; organic light-emitting diode; iTMC; ionic transiti
Heteroleptic diimine-diphosphine Cu(I) complexes as an alternative towards noble-metal based photosensitizers: Design strategies, photophysical properties and perspective applications
Keywords: ACN; acetonitrile; ATRA; atom transfer radical addition; bpy; 2,2â²-bipyridine; CDC; cross-dehydrogenative coupling; DCM; dichloromethane; DFT; density functional theory; DHA; dihedral angle; DMF; dimethylformamide; DSSC; dye sensitized solar cell; FC; F
Luminescent cyclometalated-pentafluorophenyl PtII, PtIV and heteropolynuclear complexes
Keywords: Br-Hpbt; 2-(4-bromophenyl)benzothiazole; CC; cluster-centered; cyclen; 1,4,7,10-tetraazacyclododecane; Hbzq; 7,8-benzo[h]quinoline; Hdfppy; 2-(2,4-difluorophenyl)pyridine; HE; high energy; HOMO; highest occupied molecular orbital; Hpbt; 2-phenylbenzothiaz
Sustainable metal complexes for organic light-emitting diodes (OLEDs)
Keywords: 3MLCT; triplet metal-ligand charge transfer; 4MTPD; N,Nâ²-diphenyl-N,Nâ²-(3-methyl)-1,1â²-biphenyl-4,4â²-diamine; acac; acetylacetonate; AIEE; aggregation induced enhanced emission; An; (ortho)-anisyl; BAlq; bis(2-methyl-8-quninolinato)-4-phenylphen
Cyclometalated iridium(III) luminescent complexes in therapy and phototherapy
Keywords: A2058; human metastatic melanoma cell; A2780; human ovarian carcinoma cell; A2780cisR; cisplatin-resistant A2780; A375; human melanoma cell; A549; human lung adenocarcinoma epithelial cell; A549R; cisplatin-resistant A549 cell; Aβ; beta-amyloid; acac; ac
Recent developments on optical and electrochemical sensing of copper(II) ion based on transition metal complexes
Keywords: AAS; atomic absorption spectroscopy; AIPE; aggregation-induced phosphorescent emission; bpy; 2,2â²-bipyridine; CT; charge transfer; DFT; density functional theory; DPA; dipicolylamine; EDTA; ethylenediaminetetraacetic acid; EPA; U.S. Environmental Protec
Ligand-to-ligand and intraligand charge transfer and their relation to charge transfer interactions in organic zwitterions
Keywords: Electronic spectra; LLCT; ILCT
Coordination effects of nitroxide radicals in transition metal and lanthanide complexes
Keywords: Magnetic interactions; Spin-forbidden ligand field transitions; MLCT; The lowest excited state magnetic interaction; Singlet–triplet transition in ancillary ligands; LLCT; Luminescence; MCD
Metallated molecular materials of fluorene derivatives and their analogues
Keywords: bpy; 2,2â²-bipyridine; CV; cyclic voltammetry; dafe; 4,5-diazafluorene; dafeN2; 9-diazo-4,5-diazafluorene; dafo; 4,5-diazafluoren-9-one; DBU; 1,8-diazabicyclo[5.4.0]undec-7-ene; DME; 1,2-dimethoxyethane; DMF; dimethylformamide; DFT; density functional th