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The Reactivity of Ambident Nucleophiles: Marcus Theory or Hard and Soft Acids and Bases Principle?

Journal of computational chemistry, 2019-12, Vol.40 (31), p.2761-2777

2019

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Socioeconomic and lifestyle determinants of the prevalence of hypertension among elderly individuals in rural southwest China: a structural equation modelling approach

BMC cardiovascular disorders, 2021-02, Vol.21 (1), p.64-64, Article 64

2021

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Towards the Accurate and Efficient Calculation of Optical Rotatory Dispersion Using Augmented Minimal Basis Sets

Chirality (New York, N.Y.), 2013-10, Vol.25 (10), p.606-616

2013

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O‑Regioselective Synthesis with the Silver Salt Method

ACS omega, 2018-04, Vol.3 (4), p.4557-4572

2018

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Theoretical Studies of the Glycosidation of 2‑O-Substituted 5‑Fluorouracil: N‑Regioselective Synthesis with the Phase-Transfer-Catalysis Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-11, Vol.121 (46), p.8866-8883

2017

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A practical and efficient method to calculate AIM localization and delocalization indices at post-HF levels of theory

Journal of computational chemistry, 2003-02, Vol.24 (3), p.379-385

2003

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Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: Effect of Coulomb correlation

Journal of computational chemistry, 2003-11, Vol.24 (14), p.1720-1729

2003

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Examination of DFT and TDDFT Methods II

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-10, Vol.113 (41), p.10873-10879

Wang, Yi-Gui

2009

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Examination of DFT and TDDFT Methods I

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-10, Vol.113 (41), p.10867-10872

Wang, Yi-Gui

2009

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Covalent and Ionic: Bonding Characteristics of HZnCH and ZnCH2 and Their Interconversions

ChemistrySelect (Weinheim), 2020-10, Vol.5 (37), p.11410-11419

2020

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Comparison of CIS- and EOM-CCSD-Calculated Adiabatic Excited-State Structures. Changes in Charge Density on Going to Adiabatic Excited States

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-01, Vol.109 (3), p.466-477

2005

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Creating Three Pentacoordinated Carbons in a Six-Membered Ring. An Atoms-in-Molecules and Electron-Localization Function Study on the Trishomocyclopropenyl Cation and Phosphorus, Sulfur, Arsenic, and Selenium Analogues

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-11, Vol.107 (44), p.9434-9446

2003

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Conformational energies for 2-substituted butanes

Journal of computational chemistry, 2004-07, Vol.25 (9), p.1127-1132

2004

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Sum-over-States Calculation of the Specific Rotations of Some Substituted Oxiranes, Chloropropionitrile, Ethane, and Norbornenone

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-12, Vol.110 (51), p.13995-14002

2006

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Intramolecular Nonbonded Attractive Interactions: 1-Substituted Propenes

Journal of chemical theory and computation, 2009-04, Vol.5 (4), p.1033-1037

2009

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Optical Rotatory Dispersion of 2,3-Hexadiene and 2,3-Pentadiene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-03, Vol.112 (11), p.2415-2422

2008

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Permanganate Oxidation of Alkenes. Substituent and Solvent Effects. Difficulties with MP2 Calculations

Journal of the American Chemical Society, 2006-09, Vol.128 (35), p.11537-11544

2006

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Conformational Effects on Optical Rotation. 2-Substituted Butanes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-04, Vol.109 (15), p.3405-3410

2005

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Disparate Behavior of Carbonyl and Thiocarbonyl Compounds: Acyl Chlorides vs Thiocarbonyl Chlorides and Isocyanates vs Isothiocyanates

Journal of organic chemistry, 2009-05, Vol.74 (10), p.3659-3664

2009

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Optical Activity of 1-Butene, Butane, and Related Hydrocarbons

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-01, Vol.108 (1), p.32-38

2004

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Effect of substituents and conformations on the optical rotations of cyclic oxides and related compounds. Relationship between the anomeric effect and optical rotation

Journal of organic chemistry, 2007-08, Vol.72 (16), p.6206-6214

2007

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Temperature Dependence of Optical Rotation: α-Pinene, β-Pinene Pinane, Camphene, Camphor and Fenchone

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-07, Vol.108 (26), p.5559-5563

2004

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Chiroptical Properties of 2-Chloropropionitrile

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-04, Vol.109 (15), p.3448-3453

2005

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An Atoms in Molecules and Electron Localization Function Computational Study on the Molecular Structure of the 6-Tricyclo[3.2.1.02,4]octyl Cation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-12, Vol.105 (51), p.11515-11523

2001

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Electronically Excited States of Methylenecycloalkanes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-10, Vol.108 (43), p.9417-9422

2004

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The Reactivity of Ambident Nucleophiles: Marcus Theory or Hard and Soft Acids and Bases Principle?

Socioeconomic and lifestyle determinants of the prevalence of hypertension among elderly individuals in rural southwest China: a structural equation modelling approach

Towards the Accurate and Efficient Calculation of Optical Rotatory Dispersion Using Augmented Minimal Basis Sets

O‑Regioselective Synthesis with the Silver Salt Method

Theoretical Studies of the Glycosidation of 2‑O-Substituted 5‑Fluorouracil: N‑Regioselective Synthesis with the Phase-Transfer-Catalysis Method

A practical and efficient method to calculate AIM localization and delocalization indices at post-HF levels of theory

Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: Effect of Coulomb correlation

Examination of DFT and TDDFT Methods II

Examination of DFT and TDDFT Methods I

Covalent and Ionic: Bonding Characteristics of HZnCH and ZnCH2 and Their Interconversions

Comparison of CIS- and EOM-CCSD-Calculated Adiabatic Excited-State Structures. Changes in Charge Density on Going to Adiabatic Excited States

Creating Three Pentacoordinated Carbons in a Six-Membered Ring. An Atoms-in-Molecules and Electron-Localization Function Study on the Trishomocyclopropenyl Cation and Phosphorus, Sulfur, Arsenic, and Selenium Analogues

Conformational energies for 2-substituted butanes

Sum-over-States Calculation of the Specific Rotations of Some Substituted Oxiranes, Chloropropionitrile, Ethane, and Norbornenone

Intramolecular Nonbonded Attractive Interactions: 1-Substituted Propenes

Optical Rotatory Dispersion of 2,3-Hexadiene and 2,3-Pentadiene

Permanganate Oxidation of Alkenes. Substituent and Solvent Effects. Difficulties with MP2 Calculations

Conformational Effects on Optical Rotation. 2-Substituted Butanes

Disparate Behavior of Carbonyl and Thiocarbonyl Compounds: Acyl Chlorides vs Thiocarbonyl Chlorides and Isocyanates vs Isothiocyanates

Optical Activity of 1-Butene, Butane, and Related Hydrocarbons

Effect of substituents and conformations on the optical rotations of cyclic oxides and related compounds. Relationship between the anomeric effect and optical rotation

Temperature Dependence of Optical Rotation: α-Pinene, β-Pinene Pinane, Camphene, Camphor and Fenchone

Chiroptical Properties of 2-Chloropropionitrile

An Atoms in Molecules and Electron Localization Function Computational Study on the Molecular Structure of the 6-Tricyclo[3.2.1.02,4]octyl Cation

Electronically Excited States of Methylenecycloalkanes

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