A density functional theory study on formation mechanism of CO, CO2 and CH4 in pyrolysis of lignin

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2014.06.009 ◽

2014 ◽

Vol 1045 ◽

pp. 1-9 ◽

Author(s):

Jinbao Huang ◽

Chao Liu ◽

Hong Tong ◽

Weimin Li ◽

Dan Wu

Keyword(s):

Density Functional Theory ◽

Formation Mechanism ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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The formation mechanism of Mo-methylidene species over Mo/HBeta catalysts for heterogeneous olefin metathesis: A density functional theory study

Journal of Molecular Catalysis A Chemical ◽

10.1016/j.molcata.2008.10.044 ◽

2009 ◽

Vol 300 (1-2) ◽

pp. 41-47 ◽

Author(s):

Jing Guan ◽

Gang Yang ◽

Danhong Zhou ◽

Weiping Zhang ◽

Xianchun Liu ◽

...

Keyword(s):

Density Functional Theory ◽

Formation Mechanism ◽

Olefin Metathesis ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Formation Mechanism of Furfuryl Sulfides from O-Furfuryl Dithiocarbonates: Density Functional Theory Study for Aromatic [3,3]-Sigmatropic Rearrangement

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.59.681 ◽

2011 ◽

Vol 59 (6) ◽

pp. 681-685

Author(s):

Masashi Eto ◽

Koki Yamaguchi ◽

Yasuyuki Yoshitake ◽

Kazunobu Harano

Keyword(s):

Density Functional Theory ◽

Formation Mechanism ◽

Density Functional ◽

Sigmatropic Rearrangement ◽

Density Functional Theory Study ◽

Functional Theory

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Methane formation mechanism in methanol to hydrocarbon process: A periodic density functional theory study

Catalysis Communications ◽

10.1016/j.catcom.2015.12.005 ◽

2016 ◽

Vol 75 ◽

pp. 45-49 ◽

Author(s):

Zhenhao Wen ◽

Tengfei Xia ◽

Minghui Liu ◽

Kake Zhu ◽

Xuedong Zhu

Keyword(s):

Density Functional Theory ◽

Formation Mechanism ◽

Density Functional ◽

Methane Formation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Methanol To Hydrocarbon

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Formation mechanism of methane during coal evolution: A density functional theory study

Journal of Energy Chemistry ◽

10.1016/s2095-4956(14)60183-2 ◽

2014 ◽

Vol 23 (5) ◽

pp. 669-678 ◽

Author(s):

Lina Zhang ◽

Lixia Ling ◽

Senpeng Zhao ◽

Riguang Zhang ◽

Baojun Wang

Keyword(s):

Density Functional Theory ◽

Formation Mechanism ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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New Formation Mechanism of Allylic Trithiocarbonates from Sodium O-(2-Alkenyl) Dithiocarbonates via Sequential Pericyclic Reactions: Density Functional Theory Study

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.58.1517 ◽

2010 ◽

Vol 58 (11) ◽

pp. 1517-1520 ◽

Author(s):

Masashi Eto ◽

Koki Yamaguchi ◽

Yasuyuki Yoshitake ◽

Kazunobu Harano

Keyword(s):

Density Functional Theory ◽

Formation Mechanism ◽

Density Functional ◽

Pericyclic Reactions ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Effect of acid strength on the formation mechanism of tertiary butyl carbocation in initial C4 alkylation reaction over H-BEA zeolite: A density functional theory study

Catalysis Today ◽

10.1016/j.cattod.2019.05.060 ◽

2020 ◽

Vol 355 ◽

pp. 171-179 ◽

Author(s):

Shuo Li ◽

Jianlin Cao ◽

Yibin Liu ◽

Xiang Feng ◽

Xiaobo Chen ◽

...

Keyword(s):

Density Functional Theory ◽

Formation Mechanism ◽

Density Functional ◽

Acid Strength ◽

Alkylation Reaction ◽

Zeolite A ◽

Density Functional Theory Study ◽

Functional Theory ◽

Tertiary Butyl ◽

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Density functional theory study and kinetic analysis of the formation mechanism of Al30O8(OH)56(H2O)2618+ (Al30) in aqueous solution

Geochimica et Cosmochimica Acta ◽

10.1016/j.gca.2009.11.015 ◽

2010 ◽

Vol 74 (4) ◽

pp. 1220-1229 ◽

Author(s):

Wenjing Yang ◽

Zhaosheng Qian ◽

Bangmei Lu ◽

Jing Zhang ◽

Shuping Bi

Keyword(s):

Aqueous Solution ◽

Density Functional Theory ◽

Kinetic Analysis ◽

Formation Mechanism ◽

Density Functional ◽

Density Functional Theory Study ◽

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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