A Restricted Open Configuration Interaction with Singles Method To Calculate Valence-to-Core Resonant X-ray Emission Spectra: A Case Study.

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A Restricted Open Configuration Interaction with Singles Method To Calculate Valence-to-Core Resonant X-ray Emission Spectra: A Case Study.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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A Restricted Open Configuratio ...... mission Spectra: A Case Study.

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A Restricted Open Configuratio ...... mission Spectra: A Case Study.

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A Restricted Open Configuratio ...... mission Spectra: A Case Study.

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A Restricted Open Configuratio ...... mission Spectra: A Case Study.

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A Restricted Open Configuratio ...... mission Spectra: A Case Study.

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A Restricted Open Configuratio ...... mission Spectra: A Case Study.

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P1476

A Restricted Open Configuratio ...... Emission Spectra: A Case Study

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P2093

Serena DeBeer

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

P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional exchange-energy approximation with correct asymptotic behavior

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

Experimental and theoretical correlations between vanadium K-edge X-ray absorption and K[Formula: see text] emission spectra

Kβ mainline X-ray emission spectroscopy as an experimental probe of metal-ligand covalency.

MCD C-Term Signs, Saturation Behavior, and Determination of Band Polarizations in Randomly Oriented Systems with Spin S >/= (1)/(2). Applications to S = (1)/(2) and S = (5)/(2).

Spin-orbital separation in the quasi-one-dimensional Mott insulator Sr2CuO3.

Spectroscopic methods in bioinorganic chemistry: blue to green to red copper sites.

Orbital-specific mapping of the ligand exchange dynamics of Fe(CO)5 in solution.

Identification of the dominant photochemical pathways and mechanistic insights to the ultrafast ligand exchange of Fe(CO)5 to Fe(CO)4EtOH

P304

11819-11836

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scholarly article

P356

10.1021/ACS.INORGCHEM.7B01810

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P407

English

P433

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

P478

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

P50

Frank Neese

Dimitrios Maganas

Serena DeBeer

P577

2017-09-18T00:00:00Z

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P698

28920680

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P932

5692824

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