Density functional theory study of palladium-catalyzed aryl-nitrogen and aryl-oxygen bond formation

Journal of Physical Organic Chemistry ◽

10.1002/poc.889 ◽

2005 ◽

Vol 18 (5) ◽

pp. 417-425 ◽

Author(s):

Thomas R. Cundari ◽

Jun Deng

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Bond Formation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Palladium Catalyzed ◽

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Mechanism of Palladium‐Catalyzed Spiroannulation of Naphthols with Alkynes: A Density Functional Theory Study

ChemCatChem ◽

10.1002/cctc.202000613 ◽

2020 ◽

Vol 12 (15) ◽

pp. 3863-3869 ◽

Author(s):

Xiaoling Luo ◽

Kangbao Zhong ◽

Yu Lan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Palladium Catalyzed

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Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes to Silicon-Stereogenic Silanes: A Density Functional Theory Study

Chemistry - An Asian Journal ◽

10.1002/asia.201600709 ◽

2016 ◽

Vol 11 (20) ◽

pp. 2867-2875 ◽

Author(s):

Jin Zhang ◽

Jin-Zhou Xu ◽

Zhan-Jiang Zheng ◽

Zheng Xu ◽

Yu-Ming Cui ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Palladium Catalyzed

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Density Functional Theory Study of Oxygen-Atom Insertion into Metal–Methyl Bonds of Iron(II), Ruthenium(II), and Osmium(II) Complexes: Study of Metal-Mediated C–O Bond Formation

Inorganic Chemistry ◽

10.1021/ic402759w ◽

2014 ◽

Vol 53 (6) ◽

pp. 2968-2975 ◽

Author(s):

Daniel B. Pardue ◽

Jiajun Mei ◽

Thomas R. Cundari ◽

T. Brent Gunnoe

Keyword(s):

Density Functional Theory ◽

Oxygen Atom ◽

Density Functional ◽

Bond Formation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxygen Atom Insertion

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Un-catalyzed peptide bond formation between two monomers of glycine, alanine, serine, threonine, and aspartic acid in gas phase: a density functional theory study

The European Physical Journal D ◽

10.1140/epjd/e2016-60609-8 ◽

2016 ◽

Vol 70 (5) ◽

Author(s):

Snehasis Bhunia ◽

Ajeet Singh ◽

Animesh K. Ojha

Keyword(s):

Density Functional Theory ◽

Gas Phase ◽

Aspartic Acid ◽

Density Functional ◽

Bond Formation ◽

Peptide Bond ◽

Density Functional Theory Study ◽

Peptide Bond Formation ◽

Functional Theory

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Mechanism of Palladium‐Catalyzed Spiroannulation of Naphthols with Alkynes: A Density Functional Theory Study

ChemCatChem ◽

10.1002/cctc.202001093 ◽

2020 ◽

Vol 12 (15) ◽

pp. 3796-3796 ◽

Author(s):

Xiaoling Luo ◽

Kangbao Zhong ◽

Yu Lan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Palladium Catalyzed

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Mechanism for OO bond formation in a biomimetic tetranuclear manganese cluster – A density functional theory study

Journal of Photochemistry and Photobiology B Biology ◽

10.1016/j.jphotobiol.2014.12.005 ◽

2015 ◽

Vol 152 ◽

pp. 162-172 ◽

Author(s):

Rong-Zhen Liao ◽

Per E.M. Siegbahn

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Bond Formation ◽

Density Functional Theory Study ◽

Manganese Cluster ◽

Functional Theory ◽

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The Role of Asynchronous Bond Formation in the Diastereoselective Epoxidation of Cyclic Enol Ethers: A Density Functional Theory Study

The Journal of Organic Chemistry ◽

10.1021/jo060502g ◽

2006 ◽

Vol 71 (15) ◽

pp. 5565-5573 ◽

Author(s):

Anita M. Orendt ◽

Scott W. Roberts ◽

Jon D. Rainier

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Bond Formation ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Competition of C‐C bond formation and C‐H bond formation For acetylene hydrogenation on transition metals: A density functional theory study

AIChE Journal ◽

10.1002/aic.16492 ◽

2018 ◽

Vol 65 (3) ◽

pp. 1059-1066 ◽

Author(s):

Zhi‐Jian Zhao ◽

Jiubing Zhao ◽

Xin Chang ◽

Shenjun Zha ◽

Liang Zeng ◽

...

Keyword(s):

Density Functional Theory ◽

Transition Metals ◽

Density Functional ◽

Bond Formation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Acetylene Hydrogenation

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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