The Reaction Pathways for HSCH3Adsorption on Au(111): A Density Functional Theory Study

Langmuir ◽

10.1021/la703306t ◽

2008 ◽

Vol 24 (7) ◽

pp. 3274-3279 ◽

Author(s):

P. G. Lustemberg ◽

M. L. Martiarena ◽

A. E. Martínez ◽

H. F. Busnengo

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Reaction Pathways ◽

Density Functional Theory Study ◽

Functional Theory

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Activation of Si–H bonds by stable singlet carbenes? A density functional theory study on the reaction pathways

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.02.006 ◽

2012 ◽

Vol 985 ◽

pp. 97-102 ◽

Author(s):

Ran Fang ◽

Lizi Yang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Reaction Pathways ◽

Density Functional Theory Study ◽

Functional Theory ◽

Singlet Carbenes

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Reaction pathways of hemicellulose and mechanism of biomass pyrolysis in hydrogen plasma: A density functional theory study

Renewable Energy ◽

10.1016/j.renene.2016.04.080 ◽

2016 ◽

Vol 96 ◽

pp. 490-497 ◽

Author(s):

Xiaoyuan Huang ◽

Dang-guo Cheng ◽

Fengqiu Chen ◽

Xiaoli Zhan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hydrogen Plasma ◽

Reaction Pathways ◽

Density Functional Theory Study ◽

Biomass Pyrolysis ◽

Functional Theory

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Density Functional Theory Study of the Metal-Catalyzed Cycloaddition of Indolyl-Allenes: Possible Reaction Pathways, Stereoselectivity, and Regioselectivity

Organometallics ◽

10.1021/acs.organomet.0c00080 ◽

2020 ◽

Vol 39 (10) ◽

pp. 1782-1789 ◽

Author(s):

Ran Fang ◽

Zhitao Feng ◽

Alexander M. Kirillov ◽

Lizi Yang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Reaction Pathways ◽

Density Functional Theory Study ◽

Functional Theory ◽

Metal Catalyzed

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Density Functional Theory Study of Ruthenium Alkylidene Mediated Cross-Metathesis Reaction Pathways between Cycloolefins and Halogenated Olefins

Organometallics ◽

10.1021/om050497r ◽

2005 ◽

Vol 24 (23) ◽

pp. 5696-5701 ◽

Author(s):

Serguei Fomine ◽

Joel Vargas Ortega ◽

Mikhail A. Tlenkopatchev

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Reaction Pathways ◽

Density Functional Theory Study ◽

Metathesis Reaction ◽

Functional Theory ◽

Cross Metathesis

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Reaction pathways of β-d-glucopyranose pyrolysis to syngas in hydrogen plasma: A density functional theory study

Bioresource Technology ◽

10.1016/j.biortech.2013.06.019 ◽

2013 ◽

Vol 143 ◽

pp. 447-454 ◽

Author(s):

Xiaoyuan Huang ◽

Dang-guo Cheng ◽

Fengqiu Chen ◽

Xiaoli Zhan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hydrogen Plasma ◽

Reaction Pathways ◽

Density Functional Theory Study ◽

Functional Theory

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Concurrent Cyclopropanation by Carbenes and Carbanions? A Density Functional Theory Study on the Reaction Pathways

The Journal of Organic Chemistry ◽

10.1021/jo0704356 ◽

2007 ◽

Vol 72 (14) ◽

pp. 5139-5145 ◽

Author(s):

Ran Fang ◽

Zhuofeng Ke ◽

Yong Shen ◽

Cunyuan Zhao ◽

David Lee Phillips

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Reaction Pathways ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study of Competitive Reaction Pathways of Ti+with Fluorinated Acetone in the Gas Phase

Journal of the Korean Chemical Society ◽

10.5012/jkcs.2012.56.1.014 ◽

2012 ◽

Vol 56 (1) ◽

pp. 14-19

Author(s):

Ki-Ryong Hong ◽

Tae-Kyu Kim

Keyword(s):

Density Functional Theory ◽

Gas Phase ◽

Density Functional ◽

Reaction Pathways ◽

Density Functional Theory Study ◽

Competitive Reaction ◽

Functional Theory

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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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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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