Pander
发表于 2025-3-23 12:09:17
Hans-Peter Müller), and other post-Hartree-Fock ab initio methods, treatment of electron correlation does not necessarily result in a smooth potential energy curve, especially if HF is unable to produce a smooth curve. Even the convergence rate of multireference methods can be affected as the initial orbitals that f
BOLUS
发表于 2025-3-23 17:03:31
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monogamy
发表于 2025-3-23 18:33:11
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终端
发表于 2025-3-23 23:34:36
Hans-Peter Müllergle point calculations at the DFT/B3LYP/6-31+G(d,p) level, considering three solvents with different polarity and H-bonding ability—chloroform, acetonitrile and water. Selected adducts with explicit water molecules were calculated, for their informative roles in view of the presence, in the muchiman
Crater
发表于 2025-3-24 03:15:20
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事情
发表于 2025-3-24 08:39:16
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亚当心理阴影
发表于 2025-3-24 12:55:13
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悦耳
发表于 2025-3-24 17:55:06
n the nano-rings investigated here we observe the phenomenon called avoiding crossing by molecular physicists and anti-crossing by the solid state community. Unlike in all other cases of avoiding crossings of which we are aware, we often encounter situations where more than two states of identical s
DIKE
发表于 2025-3-24 21:24:15
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dyspareunia
发表于 2025-3-25 02:23:07
EinleitungUntersuchung. Dieses Heft, eine Sammlung systematisch geordneter Zitate aus den früher bereits angelegten Exzerptheften, stellt das Resultat seiner Arbeiten dar aus einem Zeitraum, über den, bezogen auf seinen Arbeitsprozeß, bislang wenig bekannt ist.