Insights into the Catalytic Mechanism of Coral Allene Oxide Synthase: A Dispersion Corrected Density Functional Theory Study

Eric A. C. Bushnell; Rami Gherib; James W. Gauld

doi:10.1021/jp403405b

Insights into the Catalytic Mechanism of Coral Allene Oxide Synthase: A Dispersion Corrected Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp403405b ◽

2013 ◽

Vol 117 (22) ◽

pp. 6701-6710 ◽

Cited By ~ 17

Author(s):

Eric A. C. Bushnell ◽

Rami Gherib ◽

James W. Gauld

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Catalytic Mechanism ◽

Allene Oxide ◽

Allene Oxide Synthase ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxide Synthase

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Exploring the anchoring effect and catalytic mechanism of 3d transition metal phthalocyanine for S8/LiPSs: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2021.149928 ◽

2021 ◽

Vol 558 ◽

pp. 149928

Author(s):

Bin Yu ◽

Qiu He ◽

Yan Zhao

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Density Functional ◽

Catalytic Mechanism ◽

Density Functional Theory Study ◽

Metal Phthalocyanine ◽

Functional Theory ◽

Anchoring Effect

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A density functional theory study on the catalytic mechanism of hydroxycinnamoyl-CoA hydratase-lyase

International Journal of Quantum Chemistry ◽

10.1002/qua.24551 ◽

2013 ◽

Vol 114 (4) ◽

pp. 249-254 ◽

Cited By ~ 6

Author(s):

Guangcai Ma ◽

Yulin Li ◽

Lixin Wei ◽

Yongjun Liu ◽

Chengbu Liu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Catalytic Mechanism ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on Structure of Molybdenum Carbide and Catalytic Mechanism for Methane Activation over ZSM-5 Zeolite

Chinese Journal of Catalysis ◽

10.1016/s1872-2067(09)60062-0 ◽

2010 ◽

Vol 31 (4) ◽

pp. 415-422 ◽

Cited By ~ 13

Author(s):

Shuangying XING ◽

Danhong ZHOU ◽

Liang CAO ◽

Xin LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Molybdenum Carbide ◽

Catalytic Mechanism ◽

Methane Activation ◽

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 ◽

Cited By ~ 2

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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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Cited By ~ 10

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Mn Doped

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Nitrotyrosine adsorption on carbon nanotube: a density functional theory study

Indian Journal of Physics ◽

10.1007/s12648-013-0438-6 ◽

2014 ◽

Vol 88 (5) ◽

pp. 483-487 ◽

Cited By ~ 15

Author(s):

R. Majidi ◽

A. R. Karami

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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