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Variation of the Distribution of Atmospheric n-Alkanes Emitted by Different Fuels’ Combustion

Atmosphere, 2020-06, Vol.11 (6), p.643

2020

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How Accessible Is Atomic Charge Information from Infrared Intensities? A QTAIM/CCFDF Interpretation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-08, Vol.116 (31), p.8238-8249

2012

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Statistical design-principal component analysis optimization of a multiple response procedure using cloud point extraction and simultaneous determination of metals by ICP OES

Analytica chimica acta, 2006-11, Vol.580 (2), p.251-257

2006

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Energetic Origins of Force Constants: Adding a New Dimension to the Hessian Matrix via Interacting Quantum Atoms

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-12, Vol.126 (48), p.8945-8954

2022

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Are “GAPT Charges” Really Just Charges?

Journal of chemical information and modeling, 2021-08, Vol.61 (8), p.3881-3890

2021

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Electronic Distribution of SN2 IRC and TS Structures: Infrared Intensities of Imaginary Frequencies

Journal of chemical theory and computation, 2022-04, Vol.18 (4), p.2437-2447

2022

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Characteristic Substituent Effect Model for the Infrared Intensities of the X2CY (X = H, F, Cl, Br; Y = O, S) Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-04, Vol.127 (14), p.3114-3122

2023

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Characteristic Substituent Effect Model for the Infrared Intensities of the X 2 CY (X = H, F, Cl, Br; Y = O, S) Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-04, Vol.127 (14), p.3114-3122

2023

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Electronic Distribution of S N 2 IRC and TS Structures: Infrared Intensities of Imaginary Frequencies

Journal of chemical theory and computation, 2022-04, Vol.18 (4), p.2437-2447

2022

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An Atomic Charge−Charge Flux−Dipole Flux Atom-in-Molecule Decomposition for Molecular Dipole-Moment Derivatives and Infrared Fundamental Intensities

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-03, Vol.109 (11), p.2680-2688

2005

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QTAIM Atomic Charge and Polarization Parameters and Their Machine-Learning Transference among Boron-Halide Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-04, Vol.124 (17), p.3407-3416

2020

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Unavoidable failure of point charge descriptions of electronic density changes for out-of-plane distortions

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2022-04, Vol.271, p.120891, Article 120891

2022

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Atomic Polarizations, Not Charges, Determine CH Out-of-Plane Bending Intensities of Benzene Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-12, Vol.122 (51), p.9833-9841

2018

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Infrared Intensification and Hydrogen Bond Stabilization: Beyond Point Charges

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-08, Vol.123 (30), p.6482-6490

2019

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Atomic charge and atomic dipole modeling of gas-phase infrared intensities of fundamental bands for out-of-plane CH and CF bending vibrations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2021-04, Vol.251, p.119393, Article 119393

2021

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AC/DC Analysis: Broad and Comprehensive Approach to Analyze Infrared Intensities at the Atomic Level

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-04, Vol.125 (15), p.3219-3229

2021

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Statistical design--chemometrics

1, 2006

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Electrostatics Explains the Reverse Lewis Acidity of BH3 and Boron Trihalides: Infrared Intensities and a Relative Energy Gradient (REG) Analysis of IQA Energies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-10, Vol.125 (39), p.8615-8625

2021

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The removal of Cu(II) and Co(II) from aqueous solutions using cross-linked chitosan—Evaluation by the factorial design methodology

Journal of hazardous materials, 2007-05, Vol.143 (1), p.8-16

2007

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FTIR and dispersive gas phase absolute infrared intensities of hydrocarbon fundamental bands

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2019-05, Vol.214, p.1-6

2019

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Atomic polarizations necessary for coherent infrared intensity modeling with theoretical calculations

The Journal of chemical physics, 2017-04, Vol.146 (13), p.134107-134107

2017

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Seasonal changes and solvent effects on fractionated functional food component yields from Mikania laevigata leaves

Food chemistry, 2019-02, Vol.273, p.151-158

2019

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Sequential mixture design optimization for divergent metabolite analysis: Enriched carbon dioxide effects on Coffea arabica L. leaves and buds

Talanta (Oxford), 2019-01, Vol.191, p.382-389

2019

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Factorial design fingerprint discrimination of Coffea arabica beans under elevated carbon dioxide and limited water conditions

Talanta (Oxford), 2020-03, Vol.209, p.120591-120591, Article 120591

2020

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Determination of Flavanones in Orange Juices Obtained from Different Sources by HPLC/DAD

Journal of analytical methods in chemistry, 2014-01, Vol.2014 (2014), p.1-5

2014

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Variation of the Distribution of Atmospheric n-Alkanes Emitted by Different Fuels’ Combustion

How Accessible Is Atomic Charge Information from Infrared Intensities? A QTAIM/CCFDF Interpretation

Statistical design-principal component analysis optimization of a multiple response procedure using cloud point extraction and simultaneous determination of metals by ICP OES

Energetic Origins of Force Constants: Adding a New Dimension to the Hessian Matrix via Interacting Quantum Atoms

Are “GAPT Charges” Really Just Charges?

Electronic Distribution of SN2 IRC and TS Structures: Infrared Intensities of Imaginary Frequencies

Characteristic Substituent Effect Model for the Infrared Intensities of the X2CY (X = H, F, Cl, Br; Y = O, S) Molecules

Characteristic Substituent Effect Model for the Infrared Intensities of the X 2 CY (X = H, F, Cl, Br; Y = O, S) Molecules

Electronic Distribution of S N 2 IRC and TS Structures: Infrared Intensities of Imaginary Frequencies

An Atomic Charge−Charge Flux−Dipole Flux Atom-in-Molecule Decomposition for Molecular Dipole-Moment Derivatives and Infrared Fundamental Intensities

QTAIM Atomic Charge and Polarization Parameters and Their Machine-Learning Transference among Boron-Halide Molecules

Unavoidable failure of point charge descriptions of electronic density changes for out-of-plane distortions

Atomic Polarizations, Not Charges, Determine CH Out-of-Plane Bending Intensities of Benzene Molecules

Infrared Intensification and Hydrogen Bond Stabilization: Beyond Point Charges

Atomic charge and atomic dipole modeling of gas-phase infrared intensities of fundamental bands for out-of-plane CH and CF bending vibrations

AC/DC Analysis: Broad and Comprehensive Approach to Analyze Infrared Intensities at the Atomic Level

Statistical design--chemometrics

Electrostatics Explains the Reverse Lewis Acidity of BH3 and Boron Trihalides: Infrared Intensities and a Relative Energy Gradient (REG) Analysis of IQA Energies

The removal of Cu(II) and Co(II) from aqueous solutions using cross-linked chitosan—Evaluation by the factorial design methodology

FTIR and dispersive gas phase absolute infrared intensities of hydrocarbon fundamental bands

Atomic polarizations necessary for coherent infrared intensity modeling with theoretical calculations

Seasonal changes and solvent effects on fractionated functional food component yields from Mikania laevigata leaves

Sequential mixture design optimization for divergent metabolite analysis: Enriched carbon dioxide effects on Coffea arabica L. leaves and buds

Factorial design fingerprint discrimination of Coffea arabica beans under elevated carbon dioxide and limited water conditions

Determination of Flavanones in Orange Juices Obtained from Different Sources by HPLC/DAD

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