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Communication: transition state theory for dissipative systems without a dividing surface

• Authors : UAM. Departamento de Química

Subjects: Química

• Source: Journal of Chemical Physics 136.9 (2012): 0911020021-9606 (print)1089-7690 (online)0911029undefined136

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Nonadiabatic quantum transition-state theory in the golden-rule limit: II. Overcoming the pitfalls of the saddle-pointand semiclassical approximations

• Authors : Fang, Wei; Thapa, Manish J.; Richardson, Jeremy

• Source: The Journal of Chemical Physics, 151 (21)

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Nonadiabatic quantum transition-state theory in the golden-rule limit. I. Theory and application to model systems

• Authors : Thapa, Manish J.; Fang, Wei; Richardson, Jeremy O.

• Source: The Journal of Chemical Physics, 150 (10)

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Molecular simulation of loading dependent diffusion in nanoporous materials using extended dynamically corrected transition state theory

• Authors : Chemie van de vaste stof: Luminescentie en elektrochemie; Chemische Thermodynamica; Grensvlakken

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Rate constants of chemical reactions from semiclassical transition state theory in full and one dimension

• Authors : Clary, D; Greene, S; Shan, X

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Ab initio 1A' ground potential energy surface and transition state theory kinetics study of the O(1D) + N2O → 2NO, N2 +O2(a1Δg) reactions

• Authors : Ramón Sayós; Josep M. Anglada; Rosendo Valero

Subjects: Field (physics); Chemistry; Cinètica química

• Source: Dipòsit Digital de la UBUniversidad de Barcelona

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Quantum mechanical transition state theory and tunneling corrections

• Authors : Thompson, Ward H.

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Ab initio 1A' ground potential energy surface and transition state theory kinetics study of the O(1D) + N2O → 2NO, N2 +O2(a1Δg) reactions

• Authors : González Pérez, Miguel; Valero Montero, Rosendo; Anglada Rull, Josep Maria

Subjects: Química quàntica; Dissociació (Química); Cinètica química

• Source: Articles publicats en revistes (Ciència dels Materials i Química Física)

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Ab initio, variational transition state theory and quasiclassical trajectory study on the lowest 2A' potential enegy surface involved in the N(2D) + O2(X3Σg-) → O(3P) + NO(X2Π) atmospheric reaction

• Authors : González Pérez, Miguel; Miquel, Irene; Sayós Ortega, Ramón

Subjects: Atmosfera superior; Ionosfera; Dinàmica molecular

• Source: Articles publicats en revistes (Ciència dels Materials i Química Física)

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Towards a state-to-state transition state theory

• Authors : Kuppermann, A.; Levine, R. D.

Subjects: Caltech Library Services; Article; PeerReviewed

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