about
Reducing the propensity for unphysical wavefunction symmetry breaking in multireference calculations of the excited states of semiconductor clusters.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.Orbital-optimized coupled-electron pair theory and its analytic gradients: accurate equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions.
P2860
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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2010年学术文章
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2010年学术文章
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2010年學術文章
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2010年學術文章
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2010年學術文章
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name
Symmetry breaking in the cyclic C
@nl
Symmetry breaking in the cyclic C(3)C(2)H radical.
@en
type
label
Symmetry breaking in the cyclic C
@nl
Symmetry breaking in the cyclic C(3)C(2)H radical.
@en
prefLabel
Symmetry breaking in the cyclic C
@nl
Symmetry breaking in the cyclic C(3)C(2)H radical.
@en
P356
P1476
Symmetry breaking in the cyclic C(3)C(2)H radical.
@en
P2093
Benjamin Mintz
T Daniel Crawford
P304
15459-15467
P356
10.1039/C0CP00864H
P407
P577
2010-10-26T00:00:00Z