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Discrete dynamics versus analytic dynamics
Discrete dynamics versus analytic dynamics
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Discrete dynamics versus analytic dynamics

Toxvaerd, Søren

The Journal of chemical physics, 2014-01, Vol.140 (4), p.044102-044102 [Periódico revisado por pares]

United States: American Institute of Physics

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2
Dynamics of the Cl− + CH3I reaction on a high-level ab initio analytical potential energy surface
Dynamics of the Cl− + CH3I reaction on a high-level ab initio analytical potential energy surface
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Dynamics of the Cl− + CH3I reaction on a high-level ab initio analytical potential energy surface

Nacsa, András B. ; Tajti, Viktor ; Czakó, Gábor

The Journal of chemical physics, 2023-05, Vol.158 (19) [Periódico revisado por pares]

United States: American Institute of Physics

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3
Communication: Smoothing out excited-state dynamics: analytical gradients for dynamically weighted complete active space self-consistent field
Communication: Smoothing out excited-state dynamics: analytical gradients for dynamically weighted complete active space self-consistent field
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Communication: Smoothing out excited-state dynamics: analytical gradients for dynamically weighted complete active space self-consistent field

Glover, W J

The Journal of chemical physics, 2014-11, Vol.141 (17), p.171102-171102 [Periódico revisado por pares]

United States: American Institute of Physics

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4
Collective excitations in supercritical fluids: Analytical and molecular dynamics study of "positive" and "negative" dispersion
Collective excitations in supercritical fluids: Analytical and molecular dynamics study of "positive" and "negative" dispersion
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Collective excitations in supercritical fluids: Analytical and molecular dynamics study of "positive" and "negative" dispersion

Bryk, Taras ; Mryglod, Ihor ; Scopigno, Tullio ; Ruocco, Giancarlo ; Gorelli, Federico ; Santoro, Mario

The Journal of chemical physics, 2010-07, Vol.133 (2), p.024502-024502-8 [Periódico revisado por pares]

United States: American Institute of Physics

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5
The CN(X 2Σ+) + C2H6 reaction: Dynamics study based on an analytical full-dimensional potential energy surface
The CN(X 2Σ+) + C2H6 reaction: Dynamics study based on an analytical full-dimensional potential energy surface
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The CN(X 2Σ+) + C2H6 reaction: Dynamics study based on an analytical full-dimensional potential energy surface

Espinosa-Garcia, Joaquin ; Rangel, Cipriano

The Journal of chemical physics, 2023-09, Vol.159 (12) [Periódico revisado por pares]

United States: American Institute of Physics

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6
Regular reaction dynamics in analytical form in the vicinity of symmetrical transition states. Central barrier crossings in SN2 reactions
Regular reaction dynamics in analytical form in the vicinity of symmetrical transition states. Central barrier crossings in SN2 reactions
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Regular reaction dynamics in analytical form in the vicinity of symmetrical transition states. Central barrier crossings in SN2 reactions

Lorquet, J. C.

The Journal of chemical physics, 2023-09, Vol.159 (9) [Periódico revisado por pares]

Melville: American Institute of Physics

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7
Communication: Smoothing out excited-state dynamics: Analytical gradients for dynamically weighted complete active space self-consistent field
Communication: Smoothing out excited-state dynamics: Analytical gradients for dynamically weighted complete active space self-consistent field
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Communication: Smoothing out excited-state dynamics: Analytical gradients for dynamically weighted complete active space self-consistent field

Glover, W. J.

The Journal of chemical physics, 2014-11, Vol.141 (17) [Periódico revisado por pares]

United States

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8
Detailed quasiclassical dynamics of the F− + CH3Br reaction on an ab initio analytical potential energy surface
Detailed quasiclassical dynamics of the F− + CH3Br reaction on an ab initio analytical potential energy surface
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Detailed quasiclassical dynamics of the F− + CH3Br reaction on an ab initio analytical potential energy surface

Tajti, Viktor ; Győri, Tibor ; Czakó, Gábor

The Journal of chemical physics, 2021-09, Vol.155 (12), p.124301-124301 [Periódico revisado por pares]

Melville: American Institute of Physics

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9
Shear stress relaxation and diffusion in simple liquids by molecular dynamics simulations: Analytic expressions and paths to viscosity
Shear stress relaxation and diffusion in simple liquids by molecular dynamics simulations: Analytic expressions and paths to viscosity
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Shear stress relaxation and diffusion in simple liquids by molecular dynamics simulations: Analytic expressions and paths to viscosity

Heyes, D. M. ; Smith, E. R. ; Dini, D.

The Journal of chemical physics, 2019-05, Vol.150 (17), p.174504-174504 [Periódico revisado por pares]

United States: American Institute of Physics

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10
Analytic dynamics of the Morse oscillator derived by semiclassical closures
Analytic dynamics of the Morse oscillator derived by semiclassical closures
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Analytic dynamics of the Morse oscillator derived by semiclassical closures

Heatwole, Eric M ; Prezhdo, Oleg V

The Journal of chemical physics, 2009-06, Vol.130 (24), p.244111-244111-12 [Periódico revisado por pares]

United States: American Institute of Physics

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