Search Results - "Vanossi, D"
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Regiochemistry in the electrochemical assisted grafting of glassy carbon. With focus on sterical hindrance of lateral chains in the electroreduction process of multi-functionalized bithiophene
Published in Journal of electroanalytical chemistry (Lausanne, Switzerland) (01-12-2013)“…•Rational design of “surface molecular orientated reactivity” in the electrochemical assisted grafting process.•DFT study of the iodine electroreduction…”
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Solvent influence on absorption and fluorescence spectra of merocyanine dyes: a theoretical and experimental study
Published in Chemical physics (15-03-2003)“…The solvaton–CS INDO model, previously successfully used to describe the solvatochromic properties of merocyanines, has been extended to the study of the…”
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3
Excitation Energy Transfer in Ion Pairs of Polymethine Cyanine Dyes: Efficiency and Dynamics
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22-06-2006)“…The present work deals with singlet excitation energy transfer (EET) occurring in contact ion pairs (CIPs) of several anionic oxonol analogues (acting as EE…”
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Dimerization of green sensitizing cyanines in solution. A spectroscopic and theoretical study of the bonding nature
Published in Chemical physics (2002)“…The bonding nature in cyanine-dye aggregates has been investigated by studying dimerization in solution of 3,3 ′-disulfopropyl-4,5,4 ′,5…”
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Exciton Effects in the Dimer and Higher Aggregates of a Simple Merocyanine Dye. A CS INDO CI Based Theoretical Study
Published in The journal of physical chemistry. B (19-10-2000)“…A simple streptomerocyanine with five methine carbons (Mc) has been used as a suitable model system to investigate theoretically the optical properties in…”
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Exciton-Like and Charge-Transfer States in Cyanine−Oxonol Ion Pairs. An Experimental and Theoretical Study
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17-05-2001)“…Absorption and fluorescence emission properties of cyanine−oxonol mixed dyes, i.e., salts formed by a cationic cyanine with an anionic oxonol as counterion,…”
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Solvent effects within the CS INDO method. Geometrical distortion and solvatochromism of merocyanine dyes
Published in Chemical physics (01-12-1998)“…This work represents the first step of a theoretical study aiming at explicitly including solvation in the CS INDO CI calculations of ground and excited state…”
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Electronic spectra and fluorescence properties of multichromophoric sulfonylureas
Published in Inorganica Chimica Acta (15-02-2007)“…Investigation of the multichromophoric character of two sulfonylurea herbicides: sulfometuron methyl and bensulfuron methyl. UV absorption spectra and…”
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Rotamerism and electronic spectra of aza-derivatives of stilbene and diphenylbutadiene. A combined experimental and theoretical study
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (2003)“…The experimental results on the rotameric equilibrium and electronic spectra of aza-derivatives of trans-stilbene and 1,4-diphenylbutadiene, have been…”
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Electronic spectrum of porphyrins. CS INDO CI study
Published in Journal of molecular structure. Theochem (20-03-1995)“…The electronic spectra of porphin, chlorin and their magnesium derivatives have been studied quantum-mechanically with the CS INDO CI method. Both the S 0-S n…”
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On the Character Tables of Finite Point Groups
Published in Journal of chemical education (01-07-1997)“…A new method for the "complete" construction of the character tables of all the finite point groups is presented. In an explicit way, only the character tables…”
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Regarding Enumeration of Molecular Isomers
Published in Journal of Chemical Information and Computer Sciences (01-03-2000)“… on Pólya's theorem and on point groups as recently described by us [Baraldi, I.; Fiori, C.; Vanossi, D. J. Math. Chem. 1999, 25, 23−30] and extended in this paper…”
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The stable and photochemical isomers of some merocyanines: a 1H NMR and theoretical CS INDO study of the structures and electronic spectra
Published in Journal of photochemistry and photobiology. A, Chemistry (01-05-1997)“…The conformations and electron distributions of four merocyanines were investigated by 1H NMR spectroscopy in low-polarity solvents and CS INDO calculations on…”
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