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Academic Journal

Insights from Microbial Transition State Theory on Monod's Affinity Constant.

Authors : Ugalde-Salas, Pablo¹ ; Desmond-Le Quéméner, Elie¹ ; Harmand, Jérôme¹

Source: Scientific Reports. 3/24/2020, Vol. 10 Issue 1, p1-4. 4p.

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Academic Journal

Semiclassical transition state theory/master equation kinetics of HO + CO: Performance evaluation.

Authors : Barker, John R.¹ (AUTHOR) ; Stanton, John F.² (AUTHOR); Nguyen, Thanh Lam² (AUTHOR)

Source: International Journal of Chemical Kinetics. Dec2020, Vol. 52 Issue 12, p1022-1045. 24p.

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Academic Journal

Kinetics theoretical study of the O(3P) + C2H6 reaction on an ab initio-based global potential energy surface.

Authors : Garcia-Chamorro, M.¹ (AUTHOR); Corchado, J. C.¹ (AUTHOR); Espinosa-Garcia, J.¹ (AUTHOR)

Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Dec2020, Vol. 139 Issue 12, p1-10. 10p.

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Academic Journal

Barium‐Catalysed Dehydrocoupling of Hydrosilanes and Borinic Acids: A Mechanistic Insight.

Authors : Le Coz, Erwann¹ (AUTHOR); Zhang, Ziyun² (AUTHOR); Roisnel, Thierry¹ (AUTHOR)

Source: Chemistry - A European Journal. 3/18/2020, Vol. 26 Issue 16, p3535-3544. 10p.

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Academic Journal

Kinetic study of the oxidation reaction of 4‐methylphenyl radical.

Authors : Minamida, Maya¹ (AUTHOR); Tanaka, Kotaro² (AUTHOR); Tonokura, Kenichi¹ (AUTHOR)

Source: International Journal of Chemical Kinetics. Feb2020, Vol. 52 Issue 2, p77-83. 7p.

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Academic Journal

A Comparative Study on C2 Hydrocarbons and Methanol Synthesis from CO Hydrogenation Catalyzed by M1/W6S8 (M = Ir and Ca) Single-Atom Catalysts.

Authors : Hao, Zijun¹ (AUTHOR); Han, Yu¹ (AUTHOR); Guo, Sibei² (AUTHOR)

Source: Catalysis Letters. May2020, Vol. 150 Issue 5, p1515-1526. 12p.

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Academic Journal

Mechanism and kinetic investigations of 5-fluorouracil tautomeric conversions in the gas phase: DFT and CBS-QB3 methods using multichannel Rice–Ramsperger–Kassel–Marcus steady-state approximation theory.

Authors : Padash, Rahman¹ (AUTHOR)

Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Mar2020, Vol. 139 Issue 3, p1-9. 9p.

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Academic Journal

C−H Activation and Olefin Insertion in d8 and d0 Complexes: Same Elementary Steps, Different Electronics.

Authors : Bumberger, Andreas E.¹ (AUTHOR); Gordon, Christopher P.¹ (AUTHOR); Trummer, David¹ (AUTHOR)

Source: Helvetica Chimica Acta. Feb2020, Vol. 103 Issue 2, p1-10. 10p.

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Academic Journal

Enhancing Automated Reaction Discovery with Boxed Molecular Dynamics in Energy Space.

Authors : Jara‐Toro, Rafael A.¹; Pino, Gustavo A.¹; Glowacki, David R.²

Source: ChemSystemsChem. 2020, Vol. 2 Issue 1, p1-10. 10p.

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Academic Journal

A time‐dependent density functional theory study on the excited state behavior of a novel T2(OH)B molecule.

Authors : Jia, Min¹ (AUTHOR) ; Song, Xiaoyan¹ (AUTHOR); Yang, Xiaohui¹ (AUTHOR)

Source: Journal of the Chinese Chemical Society. Jan2020, Vol. 67 Issue 1, p54-61. 8p.

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نتائج البحث

فلترة النتائج

Insights from Microbial Transition State Theory on Monod's Affinity Constant.

Semiclassical transition state theory/master equation kinetics of HO + CO: Performance evaluation.

Kinetics theoretical study of the O(3P) + C2H6 reaction on an ab initio-based global potential energy surface.

Barium‐Catalysed Dehydrocoupling of Hydrosilanes and Borinic Acids: A Mechanistic Insight.

Kinetic study of the oxidation reaction of 4‐methylphenyl radical.

A Comparative Study on C2 Hydrocarbons and Methanol Synthesis from CO Hydrogenation Catalyzed by M1/W6S8 (M = Ir and Ca) Single-Atom Catalysts.

Mechanism and kinetic investigations of 5-fluorouracil tautomeric conversions in the gas phase: DFT and CBS-QB3 methods using multichannel Rice–Ramsperger–Kassel–Marcus steady-state approximation theory.

C−H Activation and Olefin Insertion in d8 and d0 Complexes: Same Elementary Steps, Different Electronics.

Enhancing Automated Reaction Discovery with Boxed Molecular Dynamics in Energy Space.

A time‐dependent density functional theory study on the excited state behavior of a novel T2(OH)B molecule.

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