The barrier height, unimolecular rate constant, and lifetime for the dissociation of HN(2).
about
Analytic energy gradients for the orbital-optimized second-order Møller-Plesset perturbation theory.Analytic energy gradients for the orbital-optimized third-order Møller-Plesset perturbation theory.Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections.Orbital-optimized MP2.5 and its analytic gradients: approaching CCSD(T) quality for noncovalent interactions.Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: an efficient implementation for the density-fitted second-order Møller-Plesset perturbation theory.Orbital-optimized coupled-electron pair theory and its analytic gradients: accurate equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions.The lowest-lying electronic singlet and triplet potential energy surfaces for the HNO-NOH system: energetics, unimolecular rate constants, tunneling and kinetic isotope effects for the isomerization and dissociation reactions.Functionalization of N2 by Mid to Late Transition Metals via N–N Bond Cleavage
P2860
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P2860
The barrier height, unimolecular rate constant, and lifetime for the dissociation of HN(2).
description
2010 nî lūn-bûn
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2010年の論文
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2010年学术文章
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2010年学术文章
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2010年学术文章
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name
The barrier height, unimolecul ...... for the dissociation of HN(2).
@en
The barrier height, unimolecul ...... for the dissociation of HN(2).
@nl
type
label
The barrier height, unimolecul ...... for the dissociation of HN(2).
@en
The barrier height, unimolecul ...... for the dissociation of HN(2).
@nl
prefLabel
The barrier height, unimolecul ...... for the dissociation of HN(2).
@en
The barrier height, unimolecul ...... for the dissociation of HN(2).
@nl
P2093
P2860
P356
P1476
The barrier height, unimolecul ...... for the dissociation of HN(2)
@en
P2093
Henry F Schaefer
Justin M Turney
Yukio Yamaguchi
P2860
P304
P356
10.1063/1.3310285
P407
P50
P577
2010-02-01T00:00:00Z