Accurate treatment of two-dimensional non-separable hindered internal rotors.

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2013 nî lūn-bûn

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2013年の論文

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2013年学术文章

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2013年学术文章

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2013年学术文章

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2013年学术文章

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2013年学术文章

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Accurate treatment of two-dimensional non-separable hindered internal rotors.

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Accurate treatment of two-dimensional non-separable hindered internal rotors.

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Accurate treatment of two-dimensional non-separable hindered internal rotors.

@en

Accurate treatment of two-dimensional non-separable hindered internal rotors.

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Accurate treatment of two-dimensional non-separable hindered internal rotors.

@en

Accurate treatment of two-dimensional non-separable hindered internal rotors.

@nl

P1476

Accurate treatment of two-dimensional non-separable hindered internal rotors

@en

P2093

Antonio Fernández-Ramos

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P2860

Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations

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Calculation of rotational partition functions by an efficient Monte Carlo importance sampling technique.

Intramolecular hydrogen migration in alkylperoxy and hydroperoxyalkylperoxy radicals: accurate treatment of hindered rotors.

Torsional anharmonicity in transition state theory calculations.

Thermodynamic Properties of Key Organic Oxygen Compounds in the Carbon Range C1 to C4. Part 2. Ideal Gas Properties

MSTor: A program for calculating partition functions, free energies, enthalpies, entropies, and heat capacities of complex molecules including torsional anharmonicity

Multi-structural variational transition state theory. Kinetics of the 1,4-hydrogen shift isomerization of the pentyl radical with torsional anharmonicity

Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximation

Symmetry numbers and chemical reaction rates

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134112

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scholarly article

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10.1063/1.4798407

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P407

English

P433

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P478

138

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P50

Antonio Fernandez-Ramos

P577

2013-04-01T00:00:00Z

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P5875

236190748

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P698

23574213

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