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Autoclave decomposition method for metals in soils and sediments

Environmental monitoring and assessment, 2012-04, Vol.184 (4), p.2285-2293

2012

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Hirshfeld-I charges in linear combination of atomic orbitals periodic calculations

Theoretical chemistry accounts, 2016-08, Vol.135 (8), p.1-13, Article 188

2016

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Composites of Anthraquinone Dyes@HKUST‐1 with Tunable Microstructuring: Experimental and Theoretical Interaction Studies

Chemistry : a European journal, 2019-03, Vol.25 (17), p.4398-4411

2019

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Elucidating Structural Stability, Bandgap, and Photocatalytic Hydrogen Evolution of (H2O/DMF)@HKUST‐1 Host‐Guest Systems

ChemPlusChem (Weinheim, Germany), 2024-05, Vol.89 (5), p.e202300579-n/a

2024

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Experimental and Theoretical Studies on Acid Corrosion Inhibition of API 5L X70 Steel with Novel 1-N-α-d-Glucopyranosyl-1H-1,2,3-Triazole Xanthines

Molecules (Basel, Switzerland), 2023-01, Vol.28 (1), p.460

2023

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Relationship between the Critical Points Found by the Electron Localization Function and Atoms in Molecules Approaches in Adducts with Hydrogen Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-11, Vol.111 (43), p.11147-11152

2007

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Metal concentrations in sediments from tourist beaches of Miri City, Sarawak, Malaysia (Borneo Island)

Marine pollution bulletin, 2013-08, Vol.73 (1), p.369-373

2013

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Adsorption and corrosion inhibition behaviour of new theophylline-triazole-based derivatives for steel in acidic medium

Royal Society open science, 2019-03, Vol.6 (3), p.181738-181738

2019

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Metal concentrations in water and sediments from tourist beaches of Acapulco, Mexico

Marine pollution bulletin, 2011-04, Vol.62 (4), p.845-850

2011

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Roothaan's approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behavior

The Journal of chemical physics, 2015-07, Vol.143 (3), p.034103-034103

2015

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Katoite under pressure: an ab initio investigation of its structural, elastic and vibrational properties sheds light on the phase transition

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (4), p.266-2669

2015

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Characterization of As and trace metals embedded in PM10 particles in Puebla City, México

Environmental monitoring and assessment, 2014, Vol.186 (1), p.55-67

2014

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Hydrolysis of TiCl4: Initial Steps in the Production of TiO2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-07, Vol.114 (28), p.7561-7570

2010

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Temporal variation of PM10 and metal concentrations in Tampico, Mexico

Air quality, atmosphere and health, 2015-08, Vol.8 (4), p.367-378

2015

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Dissociation energy for the P2S2 ring in a family of thionation reagents and the corresponding chemical reactivity of separated species: a density functional theory analysis

Journal of physical organic chemistry, 2017-05, Vol.30 (5), p.n/a

2017

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Electronic Charge Density Analysis of Li-Doped Polyacetylene: Molecular vs Periodic Descriptions and Nature of Li-to-Chain Bonding

The journal of physical chemistry. B, 2013-01, Vol.117 (2), p.725-730

2013

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Importance of one-parameter hybrid exchange-correlation functionals in band gaps of transition metal and metalloid oxides

Theoretical chemistry accounts, 2018-03, Vol.137 (3), p.1-12, Article 36

2018

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Evaluation of trace element concentration (acid leachable) in sediments from River Pánuco and its adjacent lagoon areas, NE México

Environmental earth sciences, 2013-04, Vol.68 (8), p.2239-2252

2013

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The Kohn-Sham kinetic energy density as indicator of the electron localization: Atomic shell structure

The Journal of chemical physics, 2008-03, Vol.128 (10), p.104110-104110-8

2008

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Metal enrichment in beach sediments from Chennai Metropolis, SE coast of India

Marine pollution bulletin, 2011-11, Vol.62 (11), p.2537-2542

2011

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The influence of the DFT approach on the structure and relative stability of models for cellulose I allomorphs

Theoretical chemistry accounts, 2016-05, Vol.135 (5), Article 136

2016

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Trace metal in beach sediments of Velanganni Coast, South India: application of autoclave leach method

Arabian journal of geosciences, 2014-07, Vol.7 (7), p.2655-2665

2014

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Kinetics of Space-Confined Inverse Temperature Crystallization: Gradients Enlarge Thin Perovskite Single Crystals

ACS materials letters, 2024-08, Vol.6 (8), p.3557-3563

2024

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Experimental and Theoretical Studies on Acid Corrosion Inhibition of API 5L X70 Steel with Novel 1-IN/I-α-d-Glucopyranosyl-1IH/I-1,2,3-Triazole Xanthines

Molecules (Basel, Switzerland), 2023-01, Vol.28 (1)

2023

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Dissociation energy for the P 2 S 2 ring in a family of thionation reagents and the corresponding chemical reactivity of separated species: a density functional theory analysis

Journal of physical organic chemistry, 2017-05, Vol.30 (5)

2017

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Autoclave decomposition method for metals in soils and sediments

Hirshfeld-I charges in linear combination of atomic orbitals periodic calculations

Composites of Anthraquinone Dyes@HKUST‐1 with Tunable Microstructuring: Experimental and Theoretical Interaction Studies

Elucidating Structural Stability, Bandgap, and Photocatalytic Hydrogen Evolution of (H2O/DMF)@HKUST‐1 Host‐Guest Systems

Experimental and Theoretical Studies on Acid Corrosion Inhibition of API 5L X70 Steel with Novel 1-N-α-d-Glucopyranosyl-1H-1,2,3-Triazole Xanthines

Relationship between the Critical Points Found by the Electron Localization Function and Atoms in Molecules Approaches in Adducts with Hydrogen Bonds

Metal concentrations in sediments from tourist beaches of Miri City, Sarawak, Malaysia (Borneo Island)

Adsorption and corrosion inhibition behaviour of new theophylline-triazole-based derivatives for steel in acidic medium

Metal concentrations in water and sediments from tourist beaches of Acapulco, Mexico

Roothaan's approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behavior

Katoite under pressure: an ab initio investigation of its structural, elastic and vibrational properties sheds light on the phase transition

Characterization of As and trace metals embedded in PM10 particles in Puebla City, México

Hydrolysis of TiCl4: Initial Steps in the Production of TiO2

Temporal variation of PM10 and metal concentrations in Tampico, Mexico

Dissociation energy for the P2S2 ring in a family of thionation reagents and the corresponding chemical reactivity of separated species: a density functional theory analysis

Electronic Charge Density Analysis of Li-Doped Polyacetylene: Molecular vs Periodic Descriptions and Nature of Li-to-Chain Bonding

Importance of one-parameter hybrid exchange-correlation functionals in band gaps of transition metal and metalloid oxides

Evaluation of trace element concentration (acid leachable) in sediments from River Pánuco and its adjacent lagoon areas, NE México

The Kohn-Sham kinetic energy density as indicator of the electron localization: Atomic shell structure

Metal enrichment in beach sediments from Chennai Metropolis, SE coast of India

The influence of the DFT approach on the structure and relative stability of models for cellulose I allomorphs

Trace metal in beach sediments of Velanganni Coast, South India: application of autoclave leach method

Kinetics of Space-Confined Inverse Temperature Crystallization: Gradients Enlarge Thin Perovskite Single Crystals

Experimental and Theoretical Studies on Acid Corrosion Inhibition of API 5L X70 Steel with Novel 1-IN/I-α-d-Glucopyranosyl-1IH/I-1,2,3-Triazole Xanthines

Dissociation energy for the P 2 S 2 ring in a family of thionation reagents and the corresponding chemical reactivity of separated species: a density functional theory analysis

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