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Ab Initio Study of the Rotational-Torsional Spectrum of Methyl Formate

The Astrophysical journal, 2005-07, Vol.627 (1), p.567-576

2005

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Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2022-01, Vol.264, p.120242, Article 120242

2022

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Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of Calix [4]quinone: A DFT-D3 computation

Materials chemistry and physics, 2022-02, Vol.278, p.125555, Article 125555

2022

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Chimeric design, synthesis, and biological assays of a new nonpeptide insulin-mimetic vanadium compound to inhibit protein tyrosine phosphatase 1B

Drug design, development and therapy, 2010-09, Vol.4 (default), p.231-242

2010

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Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Znn−1On clusters for glucose sensing application: A study on theoretical and experimental insights

Heliyon, 2022-12, Vol.8 (12), p.e12387-e12387, Article e12387

2022

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Theoretical prediction of relative and absolute pKa values of aminopyridines

Biophysical chemistry, 2006-11, Vol.124 (2), p.155-160

2006

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Revealing the effect of Co/Cu (d7/d9) cationic doping on an electronic acceptor ZnO nanocage surface for the adsorption of citric acid, vinyl alcohol, and sulfamethoxazole ligands: DFT-D3, QTAIM, IGM-NCI, and MD analysis

Materials chemistry and physics, 2023-11, Vol.309, p.128364, Article 128364

2023

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Synthesis of ultramicroporous zeolitic imidazolate framework ZIF-8 via solid state method using a minimum amount of deionized water for high greenhouse gas adsorption: A computational modeling

Journal of environmental chemical engineering, 2024-04, Vol.12 (2), p.112086, Article 112086

2024

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Photoluminescent Green Emission Band Induced by the Systematic Change of -CH3, -OCH3 and Naphthyl Groups in Chiral Imines

Crystal growth & design, 2018-02, Vol.18 (2), p.660-668

2018

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Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Zn n-1 O n clusters for glucose sensing application: A study on theoretical and experimental insights

Heliyon, 2022-12, Vol.8 (12), p.e12387

2022

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Corrigendum: Chimeric design, synthesis, and biological assays of a new nonpeptide insulin-mimetic vanadium compound to inhibit protein tyrosine phosphatase 1B

Drug design, development and therapy, 2010-12, Vol.4 (default), p.415-416

2010

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Analysis of B3LYP and MP2 conformational population distributions in trans-nicotine, acetylcholine, and ABT-594

International journal of quantum chemistry, 2005, Vol.103 (1), p.25-33

2005

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Structural and optical properties of ZnO nanocrystals growth by the chemical bath deposition

Optik (Stuttgart), 2018-03, Vol.157, p.125-133

2018

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The effect of superoxide dismutase and catalase on the extended preservation of the ex vivo heart for transplantation

The Journal of thoracic and cardiovascular surgery, 1988-06, Vol.95 (6), p.1008-1013

1988

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Effects of diltiazem cardioplegia on global function, segmental contractility, and the area of necrosis after acute coronary artery occlusion and surgical reperfusion

The Journal of thoracic and cardiovascular surgery, 1988-04, Vol.95 (4), p.613-617

1988

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The effect of oxygen free radical scavengers on the recovery of regional myocardial function after acute coronary occlusion and surgical reperfusion

The Journal of thoracic and cardiovascular surgery, 1988-04, Vol.95 (4), p.631-636

1988

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Green emission band induced by crystal defects in halogenated (-Br, -Cl, -F) chiral imines with a benzo[b]thiophene-based moiety

Optical materials, 2019-08, Vol.94, p.337-347

2019

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A theoretical study on three conformational structures of 2,6-distyrylpyridine

International journal of quantum chemistry, 2010-03, Vol.110 (4), p.838-849

2010

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Theoretical study of structural features of endo, exo double bonds and side chain in 14α-demethylation of lanosterol

International journal of quantum chemistry, 2006, Vol.106 (2), p.542-549

2006

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Structural and vibrational analysis of the OH torsional motion in difluorohydroxyborane

International journal of quantum chemistry, 2011-12, Vol.111 (15), p.4389-4399

2011

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Ab initio theoretical study of the methyl and phosphine torsion modes in ethylphosphine

The Journal of chemical physics, 1997-02, Vol.106 (5), p.1709-1717

1997

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Exploring potential energy hypersurfaces for triple symmetric inversion in 3-azabicyclo[3.3.1]nonan-9-one and its N-methyl derivative

Journal of computational chemistry, 1998-11, Vol.19 (14), p.1567-1574

1998

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Ab initio determination of the infrared phosphine torsion spectrum in vinylphosphine with ZPE correction

Journal of computational chemistry, 2000-10, Vol.21 (13), p.1167-1175

2000

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Power quality assessment of the Bogotá distribution network focused on voltage sag analysis

2011 2nd IEEE PES International Conference and Exhibition on Innovative Smart Grid Technologies, 2011, p.1-8

2011

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IEEE_Xplore

Guía retenida y anudada extravascular durante un cateterismo venoso central: reporte de un caso

Salud UIS, 2014-04, Vol.46 (1), p.61-64

2014

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Ab Initio Study of the Rotational-Torsional Spectrum of Methyl Formate

Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations

Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of Calix [4]quinone: A DFT-D3 computation

Chimeric design, synthesis, and biological assays of a new nonpeptide insulin-mimetic vanadium compound to inhibit protein tyrosine phosphatase 1B

Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Znn−1On clusters for glucose sensing application: A study on theoretical and experimental insights

Theoretical prediction of relative and absolute pKa values of aminopyridines

Revealing the effect of Co/Cu (d7/d9) cationic doping on an electronic acceptor ZnO nanocage surface for the adsorption of citric acid, vinyl alcohol, and sulfamethoxazole ligands: DFT-D3, QTAIM, IGM-NCI, and MD analysis

Synthesis of ultramicroporous zeolitic imidazolate framework ZIF-8 via solid state method using a minimum amount of deionized water for high greenhouse gas adsorption: A computational modeling

Photoluminescent Green Emission Band Induced by the Systematic Change of -CH3, -OCH3 and Naphthyl Groups in Chiral Imines

Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Zn n-1 O n clusters for glucose sensing application: A study on theoretical and experimental insights

Corrigendum: Chimeric design, synthesis, and biological assays of a new nonpeptide insulin-mimetic vanadium compound to inhibit protein tyrosine phosphatase 1B

Analysis of B3LYP and MP2 conformational population distributions in trans-nicotine, acetylcholine, and ABT-594

Structural and optical properties of ZnO nanocrystals growth by the chemical bath deposition

The effect of superoxide dismutase and catalase on the extended preservation of the ex vivo heart for transplantation

Effects of diltiazem cardioplegia on global function, segmental contractility, and the area of necrosis after acute coronary artery occlusion and surgical reperfusion

The effect of oxygen free radical scavengers on the recovery of regional myocardial function after acute coronary occlusion and surgical reperfusion

Green emission band induced by crystal defects in halogenated (-Br, -Cl, -F) chiral imines with a benzo[b]thiophene-based moiety

A theoretical study on three conformational structures of 2,6-distyrylpyridine

Theoretical study of structural features of endo, exo double bonds and side chain in 14α-demethylation of lanosterol

Structural and vibrational analysis of the OH torsional motion in difluorohydroxyborane

Ab initio theoretical study of the methyl and phosphine torsion modes in ethylphosphine

Exploring potential energy hypersurfaces for triple symmetric inversion in 3-azabicyclo[3.3.1]nonan-9-one and its N-methyl derivative

Ab initio determination of the infrared phosphine torsion spectrum in vinylphosphine with ZPE correction

Power quality assessment of the Bogotá distribution network focused on voltage sag analysis

Guía retenida y anudada extravascular durante un cateterismo venoso central: reporte de un caso

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