Kinetic isotope effects and how to describe them.

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Kinetic isotope effects and how to describe them.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年學術文章

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Kinetic isotope effects and how to describe them.

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Kinetic isotope effects and how to describe them.

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Kinetic isotope effects and how to describe them.

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Kinetic isotope effects and how to describe them.

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Kinetic isotope effects and how to describe them.

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Kinetic isotope effects and how to describe them.

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P1476

Kinetic isotope effects and how to describe them.

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P2093

Jeremy O Richardson

http://www.w3.org/2001/XMLSchema#string

Jiří Vaníček

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Konstantin Karandashev

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Markus Meuwly

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Zhen-Hao Xu

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P2860

CHARMM: the biomolecular simulation program

Extremely Elevated Room-Temperature Kinetic Isotope Effects Quantify the Critical Role of Barrier Width in Enzymatic C–H Activation

Simulations of the large kinetic isotope effect and the temperature dependence of the hydrogen atom transfer in lipoxygenase

Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.

Examining the case for the effect of barrier compression on tunneling, vibrationally enhanced catalysis, catalytic entropy and related issues

Quantum statistics and classical mechanics: real time correlation functions from ring polymer molecular dynamics.

Proton Transfer Studied Using a Combined Ab Initio Reactive Potential Energy Surface with Quantum Path Integral Methodology

Site-specific vibrational spectral signatures of water molecules in the magic H3O+ (H2O)20 and Cs+ (H2O)20 clusters

The power of integrating kinetic isotope effects into the formalism of the Michaelis-Menten equation.

Ring-polymer molecular dynamics: quantum effects in chemical dynamics from classical trajectories in an extended phase space.

P304

061501

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P31

scholarly article

P356

10.1063/1.4996339

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P433

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P478

http://www.w3.org/2001/XMLSchema#string

P577

2017-11-01T00:00:00Z

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P698

29282447

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P932

5729036

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