Search Results - "Machado, Daniel F S"
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Deciphering the Dynamics of Organic Nanoaggregates with AIEE Effect and Excited States: Lipophilic Benzothiadiazole Derivatives as Selective Cell Imaging Probes
Published in Journal of organic chemistry (02-10-2020)“…An aggregation-induced emission enhancement (AIEE) effect in fluorescent lipophilic 2,1,3-benzothiadiazole (BTD) derivatives and their organic nanoaggregates…”
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Revisiting Biginelli-like reactions: solvent effects, mechanisms, biological applications and correction of several literature reports
Published in Organic & biomolecular chemistry (08-05-2024)“…This study critically reevaluates reported Biginelli-like reactions using a Kamlet-Abboud-Taft-based solvent effect model. Surprisingly, structural…”
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Plasma membrane imaging with a fluorescent benzothiadiazole derivative
Published in Beilstein journal of organic chemistry (06-11-2019)“…This work describes a novel fluorescent 2,1,3-benzothiadiazole derivative designed to act as a water-soluble and selective bioprobe for plasma membrane…”
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Strong Solvent Effects on the Nonlinear Optical Properties of Z and E Isomers from Azo-Enaminone Derivatives
Published in Journal of physical chemistry. C (11-08-2016)“…We calculated the nonlinear optical properties of 24 azo-enaminone derivatives, incorporating solvent effects on their geometric and electronic structure, to…”
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Effect of the crystalline environment on the third-order nonlinear optical properties of L-arginine phosphate monohydrate: a theoretical study
Published in Journal of molecular modeling (01-04-2017)“…A supermolecular approach combined with an iterative electrostatic scheme was employed to investigate the nonlinear optical properties of the hybrid L…”
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The influence of the configuration of the (C70)2 dimer on its rovibrational spectroscopic properties: a theoretical survey
Published in Journal of molecular modeling (01-09-2018)“…A study of the spectroscopic properties of the buckyball dimer (C 70 ) 2 was performed, which involved mapping the potential energy curve of this system. The…”
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A novel analytical potential function for dicationic diatomic molecular systems based on deformed exponential function
Published in Journal of molecular modeling (01-06-2017)“…In this paper, we propose a new alternative analytical function aiming to better describe the potential energy curves of the doubly charged diatomic molecules…”
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Plasma membrane staining with fluorescent hybrid benzothiadiazole and coumarin derivatives: Tuning the cellular selection by molecular design
Published in Dyes and pigments (01-02-2021)“…In this work, two new hybrid benzothiadiazole-coumarin derivatives have been designed and applied as selective live cell fluorescence imaging probes. The…”
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Fully relativistic rovibrational energies and spectroscopic constants of the lowest $$ {\text{X}}:(1)0_g^{ + } $$ , A′:(1)2 u , A:(1)1 u , $$ {\text{B}}\prime :(1)0_u^{ - } $$ and $$ {\text{B}}:(1)0_u^{ + } $$ states of molecular chlorine
Published in Journal of molecular modeling (01-09-2012)Get full text
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Fully relativistic rovibrational energies and spectroscopic constants of the lowest , A′:(1)2u, A:(1)1u, and states of molecular chlorine
Published in Journal of molecular modeling (2012)“…The main goal of this paper is to present the rovibrational energies and spectroscopic constants of the Cl 2 molecular system in the relativistic states ,…”
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Fully relativistic rovibrational energies and spectroscopic constants of the lowest X:(1)0(+)g, A':(1)2( u ), A:(1)1 ( u ), B':(1)0(-)u and B:(1)0(+)u states of molecular chlorine
Published in Journal of molecular modeling (01-09-2012)“…The main goal of this paper is to present the rovibrational energies and spectroscopic constants of the Cl(2) molecular system in the relativistic states…”
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