Can Small Polyaromatics Describe Their Larger Counterparts for Local Reactions? A Computational Study on the H-Abstraction Reaction by an H-Atom from Polyaromatics

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.0c07133 ◽

2020 ◽

Vol 124 (46) ◽

pp. 9626-9637

Author(s):

Özlem Yönder ◽

Gunnar Schmitz ◽

Christof Hättig ◽

Rochus Schmid ◽

Paulo Debiagi ◽

...

Keyword(s):

Computational Study ◽

Abstraction Reaction ◽

Local Reactions

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A Computational Study of the Kinetics of the NO3Hydrogen-Abstraction Reaction from a Series of Aldehydes (XCHO: X = F, Cl, H, CH3)

The Journal of Physical Chemistry A ◽

10.1021/jp0125000 ◽

2002 ◽

Vol 106 (2) ◽

pp. 384-394 ◽

Author(s):

Nelaine Mora-Diez ◽

Russell J. Boyd

Keyword(s):

Computational Study ◽

Abstraction Reaction ◽

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A computational study on mechanism and kinetics for the abstraction reaction of SiHCl3 with atomic O(3P)

Chemical Physics Letters ◽

10.1016/j.cplett.2003.10.129 ◽

2004 ◽

Vol 383 (1-2) ◽

pp. 16-20 ◽

Author(s):

Qingzhu Zhang ◽

Yueshu Gu ◽

Shaokun Wang

Keyword(s):

Computational Study ◽

Abstraction Reaction ◽

Mechanism And Kinetics

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Computational Study on Joint Visual Attention How with Intentional Agency by Serial Architecture with Goals and Means

PsycEXTRA Dataset ◽

10.1037/e428862008-001 ◽

2008 ◽

Author(s):

Konno Takeshi ◽

Hashimoto Takashi

Keyword(s):

Visual Attention ◽

Computational Study ◽

Joint Visual Attention ◽

Intentional Agency

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Computational Study of Site-Specific Correlations among Oxygen Reduction Intermediates on Pd3Y (111)

Journal of Advanced Catalysis Science and Technology ◽

10.15379/2408-9834.2014.01.02.1 ◽

2014 ◽

Vol 1 (2) ◽

pp. 1-9 ◽

Author(s):

Masoud Aryanpour ◽

Keyword(s):

Oxygen Reduction ◽

Computational Study ◽

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Stress transfer characteristics of sheathed strand in prestressed concrete beams: computational study

PCI Journal ◽

10.15554/pcij.06012014.95.109 ◽

2014 ◽

Vol 59 (3) ◽

pp. 95-109 ◽

Author(s):

Rigoberto Burgueño ◽

Yi Sun

Keyword(s):

Prestressed Concrete ◽

Concrete Beams ◽

Computational Study ◽

Stress Transfer ◽

Transfer Characteristics

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COMPUTATIONAL STUDY OF A TRAILBLAZER MULTI REACTOR TUNDISH (MRT) FOR IMPROVING YIELD AND QUALITY OF STEEL DURING CONTINUOUS CASTING

International Journal of Research in Engineering and Technology ◽

10.15623/ijret.2013.0209054 ◽

2013 ◽

Vol 02 (09) ◽

pp. 359-364 ◽

Author(s):

Debasish Chatterjee .

Keyword(s):

Continuous Casting ◽

Computational Study ◽

Yield And Quality

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Computational Study of Convective and Radiative Heat Transport in Czochralski Growth of Oxides

SOP Transactions on Applied Physics ◽

10.15764/aphy.2014.02005 ◽

2014 ◽

Vol 2014 (2) ◽

pp. 38-47

Author(s):

M.H. Tavakoli ◽

Keyword(s):

Heat Transport ◽

Radiative Heat ◽

Computational Study ◽

Czochralski Growth

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EFFECTS OF EVAPORATION AND FUEL PROPERTIES ON LIQUID JETS IN SUPERSONIC CROSSFLOW: A COMPUTATIONAL STUDY USING A COMPRESSIBLE EULERIAN-LAGRANGIAN SOLVER

Atomization and Sprays ◽

10.1615/atomizspr.2020034860 ◽

2020 ◽

Vol 30 (9) ◽

pp. 675-696

Author(s):

Shufan Zou ◽

Dezhi Zhou ◽

Suo Yang

Keyword(s):

Computational Study ◽

Fuel Properties ◽

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EXPERIMENTAL AND COMPUTATIONAL STUDY OF LIFTED TURBULENT DIFFUSION FLAMES

Proceeding of CHT-04 - Advances in Computational Heat Transfer III. Proceedings of the Third International Symposium ◽

10.1615/ichmt.2004.cht-04.290 ◽

2004 ◽

Author(s):

P. Mateus ◽

A. Santos ◽

Pedro J. M. Coelho ◽

Mário Costa

Keyword(s):

Turbulent Diffusion ◽

Diffusion Flames ◽

Computational Study ◽

Turbulent Diffusion Flames

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A 3D Computational Study of Binary Alloy Solidification: Effect of Darcy and Non-Darcy Drag on Channel Segregation

Proceeding of Proceedings of the 25th National and 3rd International ISHMT-ASTFE Heat and Mass Transfer Conference (IHMTC-2019) ◽

10.1615/ihmtc-2019.210 ◽

2019 ◽

Author(s):

Alok Kumar ◽

Anup Singh ◽

Arvind Kumar

Keyword(s):

Binary Alloy ◽

Computational Study ◽

Alloy Solidification ◽

Channel Segregation

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