Energetics and Mechanism of the Hydrogenation of XHn for Group IV to Group VII Elements X.
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Analytical energy gradient for the two-component normalized elimination of the small component method.Calculations of electric dipole moments and static dipole polarizabilities based on the two-component normalized elimination of the small component method.The intrinsic strength of the halogen bond: electrostatic and covalent contributions described by coupled cluster theory.Calculations of atomic magnetic nuclear shielding constants based on the two-component normalized elimination of the small component method.Spin-orbit coupling calculations with the two-component normalized elimination of the small component method.
P2860
Energetics and Mechanism of the Hydrogenation of XHn for Group IV to Group VII Elements X.
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2012年の論文
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2012年論文
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2012年論文
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2012年論文
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name
Energetics and Mechanism of th ...... up IV to Group VII Elements X.
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Energetics and Mechanism of th ...... up IV to Group VII Elements X.
@en
type
label
Energetics and Mechanism of th ...... up IV to Group VII Elements X.
@ast
Energetics and Mechanism of th ...... up IV to Group VII Elements X.
@en
prefLabel
Energetics and Mechanism of th ...... up IV to Group VII Elements X.
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Energetics and Mechanism of th ...... up IV to Group VII Elements X.
@en
P2093
P356
P1476
Energetics and Mechanism of th ...... up IV to Group VII Elements X.
@en
P2093
Dieter Cremer
Elfi Kraka
Marek Freindorf
P304
P356
10.1021/CT300631S
P577
2012-10-10T00:00:00Z