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A combined density functional theory and numerical simulation investigation of levels of chirality transfer and regioselectivity for the radical cyclizations of N -methyl-, N -ethyl- and N -isopropyl-substituted ortho -halo- N -acryloylanilides

New journal of chemistry, 2018, Vol.42 (12), p.9783-9790

2018

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Does the Neophyl-Like Rearrangement Play a Decisive Role in Intramolecular Cyclization of Iminyl Radicals? A Combined Quantum Chemistry and Numerical Simulation Investigation of the Cyclization Mechanism and Product Distributions of Bicyclic 2-Allyl-2-methyl-2,3-dihydro-1 H-inden-1-iminyl Radical and Several Iminyl Model Compounds

Journal of organic chemistry, 2019-03, Vol.84 (5), p.2721-2731

2019

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Intramolecular cyclization reaction mechanism and regioselectivities of unsubstituted and benzene-substituted 4-penteniminyl radicals: A DFT investigation

Computational and theoretical chemistry, 2013-02, Vol.1005, p.75-83

2013

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Construction of six-membered nitrogen-heterocycles via intramolecular cyclization of iminyl radical: A theoretical perspective

Computational and theoretical chemistry, 2013-12, Vol.1025, p.52-57

2013

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Preparation and photoelectric performance of ITO/TiO2/CdS composite thin films

Journal of photochemistry and photobiology. A, Chemistry., 2008-06, Vol.195 (2-3), p.357-363

2008

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Structure and Stability of Interstellar Molecule C3S

Chinese journal of chemistry, 2002-12, Vol.20 (12), p.1487-1493

2002

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The Structures and Stability of HNOS Isomers

Chinese journal of chemistry, 2003-01, Vol.21 (1), p.30-35

2003

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Theoretical study on the singlet potential energy surface of CHOP system

Chemical physics letters, 2002-07, Vol.361 (1), p.62-70

2002

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Structures and Stability of HNS2 Isomers

Chinese journal of chemistry, 2002-08, Vol.20 (8), p.760-765

2002

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Theoretical Study on the Structures and Stability of Isomers and Complex of [Si, C, O, O] System

Chinese journal of chemistry, 2003-02, Vol.21 (2), p.121-125

2003

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Does the Neophyl-like Rearrangement Play a Decisive Role in Intramolecular Cyclization of Iminyl Radicals? A Combined Quantum Chemistry and Numerical Simulation Investigation of the Cyclization Mechanism and Product Distributions of Bicyclic 2‑Allyl-2-methyl-2,3-dihydro‑1H‑inden-1-iminyl Radical and Several Iminyl Model Compounds

Journal of organic chemistry, 2019-03, Vol.84 (5), p.2721-2731

2019

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Computational study on structures, isomerization, and dissociation of [Si,N,C,S] + isomers

Chemical physics letters, 2002-06, Vol.359 (5), p.373-380

2002

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Oxygen Atom Exchange Mechanism in Reaction of OH Radical with AsO

Chemical research in Chinese universities, 2002-08, Vol.18 (3), p.341-344

CHI Yu-juan YU Hai-tao FU Hong-gang HUANG Xu-ri LI Ze-sheng SUN Chia-chung

2002

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A combined density functional theory and numerical simulation investigation of levels of chirality transfer and regioselectivity for the radical cyclizations of N-methyl-, N-ethyl- and N-isopropyl-substituted ortho-halo-N-acryloylanilidesElectronic supplementary information (ESI) available: Details of numerical simulation computation, reaction potential energy profiles; thermodynamic and/or kinetic data of all located stationary points; numerically calculated concentration distribution, branchin

2018-06

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Two Novel Isomers of HPS3 System

中国化学快报(英文版), 2003-08, Vol.14 (8), p.860-862

2003

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Ab initio Mechanism Study on the Reaction of Chlorine Atom with Formic Acid

Chinese journal of chemistry, 2003-03, Vol.21 (3), p.244-248

2003

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A Possible Reaction Channel from BrONO to BrNO2

中国化学快报(英文版), 2002-11, Vol.13 (11), p.1138-1140

2002

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Two Lower-barrier Channels in the Reaction of HF with HOBO

中国化学快报(英文版), 2003, Vol.14 (1), p.76-78

2003

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Looking for the stable isomers of [N,C,C,O] + system

Journal of molecular structure. Theochem, 2006-04, Vol.763 (1), p.91-96

2006

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Structure and stability of the [N,C,C,S] + system isomers

Journal of molecular structure. Theochem, 2006-08, Vol.766 (2), p.165-167

2006

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Preparation and photoelectric performance of ITO/TiO 2/CdS composite thin films

Journal of photochemistry and photobiology. A, Chemistry., 2008, Vol.195 (2), p.357-363

2008

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Existence and Multiplicity for the High-order p-Laplacian

Chi, Juan Yu

2006

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The Stability of Phosphaalkynes R-C≡P (R=－BH 2 , －CH 3 ,－NH 2 , －OH) and Their Isomers

Wuli huaxue xuebao, 2003, Vol.19 (2), p.125-129

2003

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Structure and Stability of Interstellar Molecule C 3 S

Chinese journal of chemistry, 2002-12, Vol.20 (12), p.1487-1493

2002

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The Structures and Relative Stabilities of HBO 2 Isomers

Wuli huaxue xuebao, 2002, Vol.18 (1), p.87-90

2002

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A combined density functional theory and numerical simulation investigation of levels of chirality transfer and regioselectivity for the radical cyclizations of N -methyl-, N -ethyl- and N -isopropyl-substituted ortho -halo- N -acryloylanilides

Intramolecular cyclization reaction mechanism and regioselectivities of unsubstituted and benzene-substituted 4-penteniminyl radicals: A DFT investigation

Construction of six-membered nitrogen-heterocycles via intramolecular cyclization of iminyl radical: A theoretical perspective

Preparation and photoelectric performance of ITO/TiO2/CdS composite thin films

Structure and Stability of Interstellar Molecule C3S

The Structures and Stability of HNOS Isomers

Theoretical study on the singlet potential energy surface of CHOP system

Structures and Stability of HNS2 Isomers

Theoretical Study on the Structures and Stability of Isomers and Complex of [Si, C, O, O] System

Computational study on structures, isomerization, and dissociation of [Si,N,C,S] + isomers

Oxygen Atom Exchange Mechanism in Reaction of OH Radical with AsO

Two Novel Isomers of HPS3 System

Ab initio Mechanism Study on the Reaction of Chlorine Atom with Formic Acid

A Possible Reaction Channel from BrONO to BrNO2

Two Lower-barrier Channels in the Reaction of HF with HOBO

Looking for the stable isomers of [N,C,C,O] + system

Structure and stability of the [N,C,C,S] + system isomers

Preparation and photoelectric performance of ITO/TiO 2/CdS composite thin films

Existence and Multiplicity for the High-order p-Laplacian

The Stability of Phosphaalkynes R-C≡P (R=－BH 2 , －CH 3 ,－NH 2 , －OH) and Their Isomers

Structure and Stability of Interstellar Molecule C 3 S

The Structures and Relative Stabilities of HBO 2 Isomers

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