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Intramolecular Hydroamination of Selenoalkynes to 2‐Selenylindoles in the Absence of Catalyst

Chemistry : a European journal, 2019-06, Vol.25 (34), p.8157-8162

2019

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A three-state model for the photo-Fries rearrangement

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (29), p.19103-19108

2017

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Proton transfer in fluorescent secondary amines: synthesis, photophysics, theoretical calculation and preparation of photoactive phosphatidylcholine-based liposomes

Photochemical & photobiological sciences, 2019-05, Vol.18 (5), p.1171-1184

2019

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Synthesis, experimental and theoretical photophysical study of proton transfer based oxazoline fluorophores. Potential tailor made optical sensors for enantiomeric detection in solution

Dyes and pigments, 2019-06, Vol.165, p.372-382

2019

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A DFT study on the insertion of CO2 into styrene oxide catalyzed by 1-butyl-3-methyl-Imidazolium bromide ionic liquid

Journal of computational chemistry, 2015-06, Vol.36 (17), p.1322-1333

2015

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CASPT2, CASSCF and non-adiabatic molecular dynamics (NAMD) studies on the low-lying electronic states of 1 H -1,2,3-triazole photolysis

Physical chemistry chemical physics : PCCP, 2019-11, Vol.21 (46), p.25809-25819

2019

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Effective enantioselective recognition by steady-state fluorescence spectroscopy: Towards a paradigm shift to optical sensors with unusual chemical architecture

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2023-06, Vol.294, p.122526, Article 122526

2023

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Synthesis of Amino Acid-Derived 1,2,3-Triazoles: Development of a Nontrivial Fluorescent Sensor in Solution for the Enantioselective Sensing of a Carbohydrate and Bovine Serum Albumin Interaction

Journal of organic chemistry, 2018-02, Vol.83 (3), p.1348-1357

2018

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Ionic Liquid Boosted Conductivity of Biopolymer Gel Electrolyte

Journal of the Electrochemical Society, 2023-08, Vol.170 (8), p.84501

2023

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Synthesis, spectroscopy, electrochemistry and DNA interactive studies of meso-tetra(1-naphthyl)porphyrin and its metal complexes

Inorganica Chimica Acta, 2018-10, Vol.482, p.542-553

2018

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Investigating the intersystem crossing rate and triplet quantum yield of Protoporphyrin IX by means of pulse train fluorescence technique

Chemical physics letters, 2017-04, Vol.674, p.48-57

2017

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Appending ionic liquids to fluorescent benzothiadiazole derivatives: Light up and selective lysosome staining

Sensors and actuators. B, Chemical, 2020-10, Vol.321, p.128530, Article 128530

2020

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Bis-arylsulfenyl- and bis-arylselanyl-benzo-2,1,3-thiadiazoles: synthesis and photophysical characterization

RSC advances, 2016-01, Vol.6 (55), p.49613-49624

2016

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Dipolar vinyl sulfur fluorescent dyes. Synthesis and photophysics of sulfide, sulfoxide and sulfone based D–π–A compounds

RSC advances, 2017-01, Vol.7 (15), p.8832-8842

2017

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Synthesis, photophysical characterization, CASSCF/CASPT2 calculations and CT-DNA interaction study of amino and azido benzazole analogues

Journal of molecular liquids, 2020-01, Vol.297, p.111938, Article 111938

2020

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Synthesis, Characterization, and Spectroscopic Investigation of Benzoxazole Conjugated Schiff Bases

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-11, Vol.115 (46), p.13390-13398

2011

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Semi-empirical study of a set of 2-(2′-hydroxyphenyl)benzazoles using the polarizable continuum model

Chemical physics letters, 2000-09, Vol.327 (1), p.23-28

2000

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The 1,3-Dipolar Cycloaddition of Nitrile Oxide to Vinylacetic Acid: Computational Study of Transition States Selectivity, Solvent Effects, and Bicyclo Formation

Journal of the Brazilian Chemical Society, 2016-06, Vol.27 (7), p.1202-1216

2016

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Implications of flexible spacer rotational processes on the liquid crystal behavior of 4,5-dihydroisoxazole benzoate dimers

New journal of chemistry, 2016, Vol.40 (1), p.393-401

2016

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Origin of the Monolayer and Bilayer Arrangement in Smectic A and C Mesophases and Nematic Cybotactic Domains: The Case Study of Benzyloxy-Terminated Isoxazole Liquid Crystals

Crystal growth & design, 2023-05, Vol.23 (5), p.3113-3127

2023

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Calculation of the free energy of solvation from molecular dynamics simulations

Pure and applied chemistry, 2004-01, Vol.76 (1), p.231-240

2004

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CASPT2, CASSCF and non-adiabatic molecular dynamics (NAMD) studies on the low-lying electronic states of 1H-1,2,3-triazole photolysis

Physical chemistry chemical physics : PCCP, 2019-01, Vol.21 (46), p.25809-25819

2019

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The 2:1 cycloadducts from [3 + 2] 1,3-dipolar cycloaddition of nitrile oxide and vinylacetic acid. Synthesis and liquid crystal behaviour

Liquid crystals, 2012-02, Vol.39 (2), p.175-184

2012

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Solvation of monovalent anions in formamide and methanol: Parameterization of the IEF-PCM model

Chemical physics, 2008-02, Vol.344 (1), p.101-113

2008

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Computational study of anion solvation in nitrobenzene

Chemical physics letters, 2007-03, Vol.436 (4), p.362-367

2007

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Intramolecular Hydroamination of Selenoalkynes to 2‐Selenylindoles in the Absence of Catalyst

A three-state model for the photo-Fries rearrangement

Proton transfer in fluorescent secondary amines: synthesis, photophysics, theoretical calculation and preparation of photoactive phosphatidylcholine-based liposomes

Synthesis, experimental and theoretical photophysical study of proton transfer based oxazoline fluorophores. Potential tailor made optical sensors for enantiomeric detection in solution

A DFT study on the insertion of CO2 into styrene oxide catalyzed by 1-butyl-3-methyl-Imidazolium bromide ionic liquid

CASPT2, CASSCF and non-adiabatic molecular dynamics (NAMD) studies on the low-lying electronic states of 1 H -1,2,3-triazole photolysis

Effective enantioselective recognition by steady-state fluorescence spectroscopy: Towards a paradigm shift to optical sensors with unusual chemical architecture

Synthesis of Amino Acid-Derived 1,2,3-Triazoles: Development of a Nontrivial Fluorescent Sensor in Solution for the Enantioselective Sensing of a Carbohydrate and Bovine Serum Albumin Interaction

Ionic Liquid Boosted Conductivity of Biopolymer Gel Electrolyte

Synthesis, spectroscopy, electrochemistry and DNA interactive studies of meso-tetra(1-naphthyl)porphyrin and its metal complexes

Investigating the intersystem crossing rate and triplet quantum yield of Protoporphyrin IX by means of pulse train fluorescence technique

Appending ionic liquids to fluorescent benzothiadiazole derivatives: Light up and selective lysosome staining

Bis-arylsulfenyl- and bis-arylselanyl-benzo-2,1,3-thiadiazoles: synthesis and photophysical characterization

Dipolar vinyl sulfur fluorescent dyes. Synthesis and photophysics of sulfide, sulfoxide and sulfone based D–π–A compounds

Synthesis, photophysical characterization, CASSCF/CASPT2 calculations and CT-DNA interaction study of amino and azido benzazole analogues

Synthesis, Characterization, and Spectroscopic Investigation of Benzoxazole Conjugated Schiff Bases

Semi-empirical study of a set of 2-(2′-hydroxyphenyl)benzazoles using the polarizable continuum model

The 1,3-Dipolar Cycloaddition of Nitrile Oxide to Vinylacetic Acid: Computational Study of Transition States Selectivity, Solvent Effects, and Bicyclo Formation

Implications of flexible spacer rotational processes on the liquid crystal behavior of 4,5-dihydroisoxazole benzoate dimers

Origin of the Monolayer and Bilayer Arrangement in Smectic A and C Mesophases and Nematic Cybotactic Domains: The Case Study of Benzyloxy-Terminated Isoxazole Liquid Crystals

Calculation of the free energy of solvation from molecular dynamics simulations

CASPT2, CASSCF and non-adiabatic molecular dynamics (NAMD) studies on the low-lying electronic states of 1H-1,2,3-triazole photolysis

The 2:1 cycloadducts from [3 + 2] 1,3-dipolar cycloaddition of nitrile oxide and vinylacetic acid. Synthesis and liquid crystal behaviour

Solvation of monovalent anions in formamide and methanol: Parameterization of the IEF-PCM model

Computational study of anion solvation in nitrobenzene

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