Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL.

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Planar pentacoordinate carbons in CBe5(4-) derivatives.Computational quest for spherical C12B68 fullerenes with “magic” π-electrons and quasi-planar tetra-coordinated carbon

P2860

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Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL.

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2013 nî lūn-bûn

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2013年学术文章

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Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL.

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Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL.

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Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL.

@en

Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL.

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Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL.

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Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL.

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P1476

Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL.

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P2093

Gabriel Merino

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

Laetitia Bomble

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

Nancy Perez-Peralta

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

Stephan N Steinmann

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P2860

VMD: visual molecular dynamics

Natural hybrid orbitals

(C5M2-n)(n-) (M = Li, Na, K, and n = 0, 1, 2). A new family of molecules containing planar tetracoordinate carbons.

Computational evidence that hyperconjugative interactions are not responsible for the anomeric effect.

Ring currents in a proposed system containing planar hexacoordinate carbon, CB(2-)(6).

Hepta- and octacoordinate boron in molecular wheels of eight- and nine-atom boron clusters: observation and confirmation.

Sigma-pi separation of the electron localization function and aromaticity.

Unravelling the origin of intermolecular interactions using absolutely localized molecular orbitals.

An energetic measure of aromaticity and antiaromaticity based on the Pauling-Wheland resonance energies.

Block-localized wavefunction (BLW) method at the density functional theory (DFT) level.

P304

2242-2248

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P31

scholarly article

P356

10.1002/JCC.23383

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P433

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P478

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

P50

Clémence Corminboeuf

P577

2013-07-29T00:00:00Z

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P698

23897739

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Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL.

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P2860

P2860

Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL.

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P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698