Hyperconjugation in Carbocations, a BLW Study with DFT approximation.

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Large hyperconjugation in strained systems.

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Q46849235-4BAC761F-53D6-453B-92C2-858D94CD9834

P2860

Hyperconjugation in Carbocations, a BLW Study with DFT approximation.

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2013 nî lūn-bûn

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Hyperconjugation in Carbocations, a BLW Study with DFT approximation.

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Hyperconjugation in Carbocations, a BLW Study with DFT approximation.

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Hyperconjugation in Carbocations, a BLW Study with DFT approximation.

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P1476

Hyperconjugation in Carbocations, a BLW Study with DFT approximation.

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P2093

Stéphane Humbel

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

Zakaria Alamiddine

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P2860

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

VMD: visual molecular dynamics

CH5+: the infrared spectrum observed

Bond strengths: the importance of hyperconjugation

Direct estimate of the strength of conjugation and hyperconjugation by the energy decomposition analysis method

Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces

Cross-hyperconjugation: an unexplored orbital interaction between π-conjugated and saturated molecular segments.

Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory

If C-H bonds could talk: selective C-H bond oxidation

Isolation and structure of [HC[CH(SiMe(3))(SnMe(3))](2)](+): a remarkably stable sec-alkyl cation.

P304

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P31

scholarly article

P356

10.3389/FCHEM.2013.00037

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P478

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

P577

2013-01-01T00:00:00Z

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262022142

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P698

24790968

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P932

3982569

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Hyperconjugation in Carbocations, a BLW Study with DFT approximation.

about

P2860

P2860

Hyperconjugation in Carbocations, a BLW Study with DFT approximation.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P478

P577

P5875

P698

P932

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P478

P577

P5875

P698

P932