Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study.

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Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study.

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2017 nî lūn-bûn

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2017年学术文章

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2017年学术文章

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Incorporating nuclear vibratio ...... analysis: An analytical study.

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Incorporating nuclear vibratio ...... analysis: An analytical study.

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Incorporating nuclear vibratio ...... analysis: An analytical study.

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Incorporating nuclear vibratio ...... analysis: An analytical study.

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Incorporating nuclear vibratio ...... analysis: An analytical study.

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Incorporating nuclear vibratio ...... analysis: An analytical study.

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P1476

Incorporating nuclear vibratio ...... analysis: An analytical study.

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P2093

Masumeh Gharabaghi

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P2860

On the attribution and additivity of binding energies

Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems.

Additivity principles in biochemistry.

Localized Hartree product treatment of multiple protons in the nuclear-electronic orbital framework.

Born-Oppenheimer and non-Born-Oppenheimer, atomic and molecular calculations with explicitly correlated Gaussians.

Toward a consistent interpretation of the QTAIM: tortuous link between chemical bonds, interactions, and bond/line paths.

Muon-Substituted Malonaldehyde: Transforming a Transition State into a Stable Structure by Isotope Substitution.

Where to place the positive muon in the Periodic Table?

Hidden aspects of the Structural theory of chemistry: MC-QTAIM analysis reveals "alchemical" transformation from a triatomic to a diatomic structure.

Deciphering the "chemical" nature of the exotic isotopes of hydrogen by the MC-QTAIM analysis: the positively charged muon and the muonic helium as new members of the periodic table.

P304

154106

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P31

scholarly article

P356

10.1063/1.4979994

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P407

English

P433

http://www.w3.org/2001/XMLSchema#string

P478

146

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P50

Shant Shahbazian

P577

2017-04-01T00:00:00Z

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P698

28433028

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P818

1611.04608

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