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Resolution of isomeric new designer stimulants using gas chromatography – Vacuum ultraviolet spectroscopy and theoretical computations

Analytica chimica acta, 2017-06, Vol.971, p.55-67

2017

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Simulation of Vacuum Ultraviolet Absorption Spectra: Paraffin, Isoparaffin, Olefin, Naphthene, and Aromatic Hydrocarbon Class Compounds

Applied spectroscopy, 2020-01, Vol.74 (1), p.72-80

2020

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Understanding the mechanism of CO2 capture by 1,3 di-substituted imidazolium acetate based ionic liquids

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (3), p.1911-1917

2016

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Asymmetric Synthesis of Remote Quaternary Centers by Copper-Catalyzed Desymmetrization: An Enantioselective Total Synthesis of (+)-Mesembrine

Organic letters, 2018-09, Vol.20 (17), p.5158-5162

2018

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Analysis and deconvolution of dimethylnaphthalene isomers using gas chromatography vacuum ultraviolet spectroscopy and theoretical computations

Analytica chimica acta, 2016-11, Vol.945, p.1-8

2016

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Gas chromatography-vacuum ultraviolet spectroscopic analysis of organosilanes

Talanta (Oxford), 2021-02, Vol.223 (Pt 2), p.121781-121781, Article 121781

2021

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Vacuum ultraviolet absorbance of alkanes: an experimental and theoretical investigation

Structural chemistry, 2019-12, Vol.30 (6), p.2217-2224

2019

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Copper() and silver() chemistry of vinyltrifluoroborate supported by a bis(pyrazolyl)methane ligand

Dalton transactions : an international journal of inorganic chemistry, 2021-06, Vol.5 (22), p.7621-7632

2021

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Investigation of gas phase absorption spectral similarity for stable-isotopically labeled compounds in the 125–240nm wavelength range

Talanta (Oxford), 2018-01, Vol.177, p.41-46

2018

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Copper( i )-based oxidation of polycyclic aromatic hydrocarbons and product elucidation using vacuum ultraviolet spectroscopy and theoretical spectral calculations

New journal of chemistry, 2018, Vol.42 (24), p.19442-19449

2018

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Studies on solubility and S-alkylation of 2-thiouracil in ionic liquids

Journal of molecular liquids, 2018-09, Vol.265, p.463-467

2018

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Gold(I) Complexes [N{(C3F7)C(Dipp)N}2]AuL (L = Ethylene, tert-Butyl Isocyanide, Tetrahydrothiophene, Triphenylphosphine) and Different Triazapentadienyl Ligand Coordination Modes

European journal of inorganic chemistry, 2016-12, Vol.2016 (35), p.5435-5444

2016

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Demonstration of Selective Single-Barium Ion Detection with Dry Diazacrown Ether Naphthalimide Turn-on Chemosensors

ACS sensors, 2021-01, Vol.6 (1), p.192-202

2021

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Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study

Journal of molecular structure, 2013-04, Vol.1038 (C), p.12-18

2013

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Investigation of gas phase absorption spectral similarity for stable-isotopically labeled compounds in the 125–240 nm wavelength range

Talanta (Oxford), 2018-01, Vol.177, p.41-46

2018

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Spectroscopic and computational analysis of the molecular interactions in the ionic liquid [Emim]+[FAP]

Ionics, 2015-06, Vol.21 (6), p.1605-1613

2015

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Copper(i)-based oxidation of polycyclic aromatic hydrocarbons and product elucidation using vacuum ultraviolet spectroscopy and theoretical spectral calculationsElectronic supplementary information (ESI) available: X-ray crystallographic data (CIF), ORTEP diagrams, chromatograms, additional figures and details of theoretical spectral calculations. CCDC 1867904. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8nj04740e

2018-12

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NMR spectroscopic and computational investigations of RuHCl(CO)(PPh3)3 catalyzed isomerization of 1,4-cyclohexadiene

Journal of organometallic chemistry, 2013-10, Vol.741-742, p.15-19

2013

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Understanding the mechanism of CO2 capture by 1,3 di-substituted imidazolium acetate based ionic liquidsElectronic supplementary information (ESI) available: Table of optimized geometries in the form of Gaussian archive entries. See DOI: 10.1039/c5cp05713b

2016-01

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Understanding the mechanism of CO 2 capture by 1,3 di-substituted imidazolium acetate based ionic liquids

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (3), p.1911-1917

2016

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Understanding the Mechanism of CO2 Capture by 1,3 Di-substituted Imidazolium Acetate Based Ionic Liquids

Physical chemistry chemical physics : PCCP, 2015-12, Vol.18 (3)

2015

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Atomic Charges in Molecules: A Classical Concept in Modern Computational Chemistry

Postdoc journal, 2014-02, Vol.2 (2)

Mao, James X.

2014

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Spectroscopic and computational analysis of the molecular interactions in the ionic liquid ion pair [BMP]+[TFSI]

Journal of molecular liquids, 2012-11, Vol.175 (C), p.141-147

2012

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Demonstration of Selective Single-Barium Ion Detection with Dry Diazacrown Ether Naphthalimide Turn-on Chemosensors

ACS sensors, 2021-01, Vol.6 (1)

2021

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Performance of Molecular Dynamics Acceleration Strategies on Composable Cyberinfrastructure

Practice and Experience in Advanced Research Computing 2024: Human Powered Computing, 2024, p.1-5

2024

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Resolution of isomeric new designer stimulants using gas chromatography – Vacuum ultraviolet spectroscopy and theoretical computations

Simulation of Vacuum Ultraviolet Absorption Spectra: Paraffin, Isoparaffin, Olefin, Naphthene, and Aromatic Hydrocarbon Class Compounds

Understanding the mechanism of CO2 capture by 1,3 di-substituted imidazolium acetate based ionic liquids

Asymmetric Synthesis of Remote Quaternary Centers by Copper-Catalyzed Desymmetrization: An Enantioselective Total Synthesis of (+)-Mesembrine

Analysis and deconvolution of dimethylnaphthalene isomers using gas chromatography vacuum ultraviolet spectroscopy and theoretical computations

Gas chromatography-vacuum ultraviolet spectroscopic analysis of organosilanes

Vacuum ultraviolet absorbance of alkanes: an experimental and theoretical investigation

Copper() and silver() chemistry of vinyltrifluoroborate supported by a bis(pyrazolyl)methane ligand

Investigation of gas phase absorption spectral similarity for stable-isotopically labeled compounds in the 125–240nm wavelength range

Copper( i )-based oxidation of polycyclic aromatic hydrocarbons and product elucidation using vacuum ultraviolet spectroscopy and theoretical spectral calculations

Studies on solubility and S-alkylation of 2-thiouracil in ionic liquids

Gold(I) Complexes [N{(C3F7)C(Dipp)N}2]AuL (L = Ethylene, tert-Butyl Isocyanide, Tetrahydrothiophene, Triphenylphosphine) and Different Triazapentadienyl Ligand Coordination Modes

Demonstration of Selective Single-Barium Ion Detection with Dry Diazacrown Ether Naphthalimide Turn-on Chemosensors

Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study

Investigation of gas phase absorption spectral similarity for stable-isotopically labeled compounds in the 125–240 nm wavelength range

Spectroscopic and computational analysis of the molecular interactions in the ionic liquid [Emim]+[FAP]

NMR spectroscopic and computational investigations of RuHCl(CO)(PPh3)3 catalyzed isomerization of 1,4-cyclohexadiene

Understanding the mechanism of CO2 capture by 1,3 di-substituted imidazolium acetate based ionic liquidsElectronic supplementary information (ESI) available: Table of optimized geometries in the form of Gaussian archive entries. See DOI: 10.1039/c5cp05713b

Understanding the mechanism of CO 2 capture by 1,3 di-substituted imidazolium acetate based ionic liquids

Understanding the Mechanism of CO2 Capture by 1,3 Di-substituted Imidazolium Acetate Based Ionic Liquids

Atomic Charges in Molecules: A Classical Concept in Modern Computational Chemistry

Spectroscopic and computational analysis of the molecular interactions in the ionic liquid ion pair [BMP]+[TFSI]

Demonstration of Selective Single-Barium Ion Detection with Dry Diazacrown Ether Naphthalimide Turn-on Chemosensors

Performance of Molecular Dynamics Acceleration Strategies on Composable Cyberinfrastructure

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