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Exploring Geometrical, Electronic and Spectroscopic Properties of 2-Nitroimidazole-Based Radiopharmaceuticals via Computational Chemistry Methods

Molecules (Basel, Switzerland), 2024-04, Vol.29 (7), p.1505

2024

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Molecular Dynamics Simulations Applied to Structural and Dynamical Transitions of the Huntingtin Protein: A Review

ACS chemical neuroscience, 2020-01, Vol.11 (2), p.105-120

2020

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Decreased Interactions between Calmodulin and a Mutant Huntingtin Model Might Reduce the Cytotoxic Level of Intracellular Ca2+: A Molecular Dynamics Study

International journal of molecular sciences, 2021-08, Vol.22 (16), p.9025

2021

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Detection of thiabendazole applied on citrus fruits and bananas using surface enhanced Raman scattering

Food chemistry, 2014-02, Vol.145, p.814-820

2014

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FTIR, FT-Raman, SERS and DFT study on melamine

Vibrational spectroscopy, 2012-09, Vol.62, p.165-171

2012

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Theoretical and Experimental Vibrational Characterization of Biologically Active Nd(III) Complex

Molecules (Basel, Switzerland), 2021-05, Vol.26 (9), p.2726

2021

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Specific Key-Point Mutations along the Helical Conformation of Huntingtin-Exon 1 Protein Might Have an Antagonistic Effect on the Toxic Helical Content’s Formation

ACS chemical neuroscience, 2020-09, Vol.11 (18), p.2881-2889

2020

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Cheminformatics Study on Structural and Bactericidal Activity of Latest Generation β-Lactams on Widespread Pathogens

International journal of molecular sciences, 2022-10, Vol.23 (20), p.12685

2022

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All-Atom Molecular Dynamics Investigations on the Interactions between D2 Subunit Dopamine Receptors and Three 11C-Labeled Radiopharmaceutical Ligands

International journal of molecular sciences, 2022-02, Vol.23 (4), p.2005

2022

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Excitation energies for anionic drugs predicted by PBE0, TPSS and τHCTH density functionals

Journal of molecular structure, 2021-12, Vol.1245, p.131120, Article 131120

2021

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Citrus fruits freshness assessment using Raman spectroscopy

Food chemistry, 2018-03, Vol.242, p.560-567

2018

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Particle tracking, recognition and LET evaluation of out-of-field proton therapy delivered to a phantom with implants

Physics in medicine & biology, 2024-07, Vol.69 (16), p.165006

2024

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Yeast cell wall – Silver nanoparticles interaction: A synergistic approach between surface-enhanced Raman scattering and computational spectroscopy tools

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2019-11, Vol.222, p.117223, Article 117223

2019

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Symmetry, aggregation and counterion role in tuning NIR absorbance of a Cu(I) coordination complex

Inorganica Chimica Acta, 2024-11, Vol.572, p.122302, Article 122302

2024

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SERS-based differential diagnosis between multiple solid malignancies: breast, colorectal, lung, ovarian and oral cancer

International journal of nanomedicine, 2019-08, Vol.14, p.6165-6178

2019

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Experimental and Theoretical Investigations of the Chemotherapeutic Drug Capecitabine

Journal of molecular structure, 2022-02, Vol.1250, p.131577, Article 131577

2022

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Experimental and computational Raman spectroscopies applied to 2-methoxy-2-methylpropylisonitrile (MIBI) ligand of the 99mTc-sestamibi radiopharmaceutical

Journal of molecular structure, 2021-12, Vol.1246, p.131159, Article 131159

2021

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Structural, spectroscopic and theoretical studies of sodium (2-carbamoylphenoxy) acetate salt

Journal of molecular structure, 2020-01, Vol.1200, p.127016, Article 127016

2020

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Towards a receptor-free immobilization and SERS detection of urinary tract infections causative pathogens

Analytical and bioanalytical chemistry, 2014-05, Vol.406 (13), p.3051-3058

2014

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Controlling Plasmonic Chemistry Pathways through Specific Ion Effects

Advanced optical materials, 2022-07, Vol.10 (14), p.n/a

2022

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Surface mediated chiral interactions between cyclodextrins and propranolol enantiomers: a SERS and DFT study

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (2), p.1281-1289

2015

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A chiral electrochemical system based on l-cysteine modified gold nanoparticles for propranolol enantiodiscrimination: Electroanalysis and computational modelling

Electrochimica acta, 2019-12, Vol.326, p.134961, Article 134961

2019

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Provocarile pedagogiei contemporane

Chis, Vasile

2002

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Absorption spectra of PTCDI: A combined UV–Vis and TD-DFT study

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2012-11, Vol.97, p.703-710

2012

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Radiopharmaceuticals for PET and SPECT Imaging: A Literature Review over the Last Decade

International journal of molecular sciences, 2022-04, Vol.23 (9), p.5023

2022

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Exploring Geometrical, Electronic and Spectroscopic Properties of 2-Nitroimidazole-Based Radiopharmaceuticals via Computational Chemistry Methods

Molecular Dynamics Simulations Applied to Structural and Dynamical Transitions of the Huntingtin Protein: A Review

Decreased Interactions between Calmodulin and a Mutant Huntingtin Model Might Reduce the Cytotoxic Level of Intracellular Ca2+: A Molecular Dynamics Study

Detection of thiabendazole applied on citrus fruits and bananas using surface enhanced Raman scattering

FTIR, FT-Raman, SERS and DFT study on melamine

Theoretical and Experimental Vibrational Characterization of Biologically Active Nd(III) Complex

Specific Key-Point Mutations along the Helical Conformation of Huntingtin-Exon 1 Protein Might Have an Antagonistic Effect on the Toxic Helical Content’s Formation

Cheminformatics Study on Structural and Bactericidal Activity of Latest Generation β-Lactams on Widespread Pathogens

All-Atom Molecular Dynamics Investigations on the Interactions between D2 Subunit Dopamine Receptors and Three 11C-Labeled Radiopharmaceutical Ligands

Excitation energies for anionic drugs predicted by PBE0, TPSS and τHCTH density functionals

Citrus fruits freshness assessment using Raman spectroscopy

Particle tracking, recognition and LET evaluation of out-of-field proton therapy delivered to a phantom with implants

Yeast cell wall – Silver nanoparticles interaction: A synergistic approach between surface-enhanced Raman scattering and computational spectroscopy tools

Symmetry, aggregation and counterion role in tuning NIR absorbance of a Cu(I) coordination complex

SERS-based differential diagnosis between multiple solid malignancies: breast, colorectal, lung, ovarian and oral cancer

Experimental and Theoretical Investigations of the Chemotherapeutic Drug Capecitabine

Experimental and computational Raman spectroscopies applied to 2-methoxy-2-methylpropylisonitrile (MIBI) ligand of the 99mTc-sestamibi radiopharmaceutical

Structural, spectroscopic and theoretical studies of sodium (2-carbamoylphenoxy) acetate salt

Towards a receptor-free immobilization and SERS detection of urinary tract infections causative pathogens

Controlling Plasmonic Chemistry Pathways through Specific Ion Effects

Surface mediated chiral interactions between cyclodextrins and propranolol enantiomers: a SERS and DFT study

A chiral electrochemical system based on l-cysteine modified gold nanoparticles for propranolol enantiodiscrimination: Electroanalysis and computational modelling

Provocarile pedagogiei contemporane

Absorption spectra of PTCDI: A combined UV–Vis and TD-DFT study

Radiopharmaceuticals for PET and SPECT Imaging: A Literature Review over the Last Decade

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