1,500 Works

H2CNCNH2 IRC

Henry Rzepa
Gaussian Calculation

Ozone, Def2-TZVPP NBO

Henry Rzepa
Gaussian Calculation

Molecules described in \"A quantitative definition of hypervalency\" by M. Durrant

Henry Rzepa
Analysis of hypervalent molecules using the QTAIM charge distributions.

H2CNCCN Wiberg NBO

Henry Rzepa
Gaussian Calculation

H2CNCCN WFN

Henry Rzepa
Gaussian Calculation

H2CNCF3 WFN

Henry Rzepa
Gaussian Calculation

(NO2)2CNCCN WFN

Henry Rzepa
Gaussian Calculation

H2CNCNH2 Wiberg NBO

Henry Rzepa
Gaussian Calculation

SH4. Def2-QZVPPD, NBO

Henry Rzepa
Gaussian Calculation

SeH4. Def2-QZVPPD, NBO

Henry Rzepa
Gaussian Calculation

Ne-Ar WFN

Henry Rzepa
Gaussian Calculation

3, TPSSh/Def2-SVPP/SCRF=thf, singlet, NBO + Wiberg bond orders

Henry Rzepa
Gaussian Calculation

NH4 (-) WFN

Henry Rzepa
Gaussian Calculation

CrN3 (-) D3h triplet

Henry Rzepa
Gaussian Calculation

Cr(Me)6 Wiberg

Henry Rzepa
Gaussian Calculation

HCCrCH NBO

Henry Rzepa
Gaussian Calculation

CrMe6, WFN

Henry Rzepa
Gaussian Calculation

Compound 2a

Clare Bakewell
Multinuclear NMR data.

2-Phenyl-1-(pyrrolidin-1-yl)ethan-1-one (4)

Gajan Santhakumar
2-Phenyl-1-(pyrrolidin-1-yl)ethan-1-one (4)

2-Phenyl-N-(m-tolyl)acetamide (7)

Gajan Santhakumar
2-Phenyl-N-(m-tolyl)acetamide (7)

Benzoyltrimethoxysilane (13)

Gajan Santhakumar
Benzoyltrimethoxysilane (13)

N-(2-Hydroxyethyl)benzamide (25)

Gajan Santhakumar
N-(2-Hydroxyethyl)benzamide (25)

Hypervalency

Henry Rzepa

F2, Def2-TZVPPD, WFN

Henry Rzepa
Gaussian Calculation

Registration Year

  • 2017
    1,500

Resource Types

  • Dataset
    1,414
  • Collection
    86

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  • Imperial College London
    1,500
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    1
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    1
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    1
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    1