A density functional theory study on the kinetics of seven-member ring formation in polyaromatic hydrocarbons

Combustion and Flame ◽

10.1016/j.combustflame.2020.03.032 ◽

2020 ◽

Vol 217 ◽

pp. 152-174 ◽

Author(s):

Angiras Menon ◽

Gustavo Leon ◽

Jethro Akroyd ◽

Markus Kraft

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Polyaromatic Hydrocarbons ◽

Ring Formation ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Rupture kinetics of liquid bridges during a pulling process: A kinetic density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.3570657 ◽

2011 ◽

Vol 134 (12) ◽

pp. 124704 ◽

Author(s):

Yumei Men ◽

Xianren Zhang ◽

Wenchuan Wang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Liquid Bridges ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Electrocyclic [1,5] hydrogen shift in the thermal elimination kinetics of phenyl acetate andp-tolyl acetate in the gas phase: a density functional theory study

Molecular Physics ◽

10.1080/00268976.2013.842006 ◽

2013 ◽

Vol 112 (3-4) ◽

pp. 462-473 ◽

Author(s):

Edgar Marquez ◽

Alexis Maldonado ◽

Felix Rosas ◽

Beatriz Ramirez ◽

Tania Cordova-Sintjago ◽

...

Keyword(s):

Density Functional Theory ◽

Gas Phase ◽

Density Functional ◽

Phenyl Acetate ◽

Density Functional Theory Study ◽

Elimination Kinetics ◽

Functional Theory ◽

Hydrogen Shift ◽

Thermal Elimination ◽

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Understanding the drying kinetics of phenolic compounds in strawberries: An experimental and density functional theory study

Innovative Food Science & Emerging Technologies ◽

10.1016/j.ifset.2019.102283 ◽

2020 ◽

Vol 60 ◽

pp. 102283 ◽

Author(s):

A. López-Ortiz ◽

L.L. Méndez-Lagunas ◽

Cornelio Delesma ◽

Adriana Longoria ◽

Jorge Escobar ◽

...

Keyword(s):

Density Functional Theory ◽

Phenolic Compounds ◽

Density Functional ◽

Drying Kinetics ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Thermodynamics and Kinetics of MTBE Degradation: A Density Functional Theory Study

Soil and Sediment Contamination An International Journal ◽

10.1080/10588330490445385 ◽

2004 ◽

Vol 13 (3) ◽

pp. 267-281 ◽

Author(s):

KRISHNA L. BHAT ◽

WILLIAM H. BRENDLEY ◽

CHARLES W. BOCK

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Thermodynamics And Kinetics ◽

Kinetics Of ◽

Mtbe Degradation

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Chemical Thermodynamics and Kinetics of Thiophenic Sulfur Removed from Coal by Microwave: A Density Functional Theory Study

Journal of Sustainable Metallurgy ◽

10.1007/s40831-021-00425-4 ◽

2021 ◽

Author(s):

Chen Yin ◽

Shengfu Zhang ◽

Jincheng Wang ◽

Farooq Sher ◽

Shuangshuang Cai ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chemical Thermodynamics ◽

Density Functional Theory Study ◽

Functional Theory ◽

Thermodynamics And Kinetics ◽

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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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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 ◽

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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