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Exploring solvatochromism: A comprehensive analysis of research data
M Homocianu - Microchemical Journal, 2024 - Elsevier
This review presents the recent advances in solvatochromism and its practical applications
over the last twelve years. It highlights the significance and broad impact of solvent effects …
over the last twelve years. It highlights the significance and broad impact of solvent effects …
Dual-emission carbon dots for ratiometric fluorescent water sensing, relative humidity sensing, and anticounterfeiting applications
Y Qin, Y Bai, P Huang, FY Wu - ACS Applied Nano Materials, 2021 - ACS Publications
We synthesized blue fluorescent carbon quantum dots (CDs) by the solvothermal strategy
using 2, 5-dihydroxyterephthalic acid as the precursor. The as-prepared CD surfaces …
using 2, 5-dihydroxyterephthalic acid as the precursor. The as-prepared CD surfaces …
Interplay between conformational and solvent effects in UV-visible absorption spectra: Curcumin tautomers as a case study
We present a combined theoretical and experimental study on the UV-vis spectra of enol–
keto (EK) and keto–keto (KK) tautomeric forms of curcumin dissolved in aqueous solution …
keto (EK) and keto–keto (KK) tautomeric forms of curcumin dissolved in aqueous solution …
Uncovering structure–property relationships in push–pull chromophores: a promising route to large hyperpolarizability and two-photon absorption
In this investigation, we report the first hyperpolarizabilities and two-photon absorption cross
sections of a large series of 12 push–pull cationic chromophores. All of these dyes show a …
sections of a large series of 12 push–pull cationic chromophores. All of these dyes show a …
Electronic transitions for a fully polarizable qm/mm approach based on fluctuating charges and fluctuating dipoles: linear and corrected linear response regimes
The fully polarizable Quantum Mechanics/Molecular Mechanics (QM/MM) approach based
on fluctuating charges and fluctuating dipoles, named QM/FQFμ [T. Giovannini et al., J …
on fluctuating charges and fluctuating dipoles, named QM/FQFμ [T. Giovannini et al., J …
Multilevel density functional theory
G Marrazzini, T Giovannini, M Scavino… - Journal of chemical …, 2021 - ACS Publications
Following recent developments in multilevel embedding methods, we introduce a novel
density matrix-based multilevel approach within the framework of density functional theory …
density matrix-based multilevel approach within the framework of density functional theory …
Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling
T Giovannini, M Macchiagodena… - … Journal of Quantum …, 2019 - Wiley Online Library
We present a computational study on the spectroscopic properties of UV‐Vis absorbing dyes
in water solution. We model the solvation environment by using both continuum and discrete …
in water solution. We model the solvation environment by using both continuum and discrete …
Enhancement of second-order nonlinear optical properties of centrosymmetric ferrocenyl borasiloxane by a broken-symmetry approach
A new eight-membered centrosymmetric ferrocenyl borasiloxane FcBSi (1) and its pyridine
adduct FcBSiPy (2) were synthesized and spectroscopically characterized. Further, the …
adduct FcBSiPy (2) were synthesized and spectroscopically characterized. Further, the …
Nonlinear optical properties of a new panchromatic series of water-soluble bicationic push-pull fluorophores
L Mencaroni, C Bonaccorso, V Botti, B Carlotti… - Dyes and …, 2021 - Elsevier
Six water-soluble bications, characterized by a symmetric A+-π-D-π-A+ structure, were
synthesized and comprehensively studied for their absorption and fluorescence properties …
synthesized and comprehensively studied for their absorption and fluorescence properties …
Femtosecond nonlinear optical properties of push–pull chromopohores using Z-scan technique: experimental and computational studies
To shed the light about the effect of the linkers of the small organic molecules on their optical
properties, we examine herein the linear, and nonlinear optical properties of the two easy …
properties, we examine herein the linear, and nonlinear optical properties of the two easy …