The rotational barrier of the allyl anion

Keywords

IonChemistryMaterials scienceOrganic chemistry

Affiliated Institutions

Istituto di Chimica Biomolecolare IT

Related Publications

Effect of Ionic Solutes on the Hydrogen Bond Network Dynamics of Water: Power Spectral Analysis of Aqueous NaCl Solutions

Anirban Mudi , Charusita Chakravarty

To understand the modifications of the hydrogen bond network of water by ionic solutes, power spectra as well as static distributions of the potential energies of tagged solvent...

2006 The Journal of Physical Chemistry B 36 citations

Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon

David E. Woon , Thom H. Dunning

Correlation consistent and augmented correlation consistent basis sets have been determined for the second row atoms aluminum through argon. The methodology, originally develope...

1993 The Journal of Chemical Physics 9310 citations

Self-Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications H3, BH, H2O, C2H6, and O2

William J. Hunt , Phillipa Hay , William A. Goddard

Methods of efficiently optimizing the orbitals of generalized valence bond (GVB) wavefunctions are discussed and applied to LiH, BH, H3, H2O, C6H6, and O2. The strong orthogonal...

1972 The Journal of Chemical Physics 381 citations

On the conformational varieties of acetylcholine in the crystals of its halides

J. Caillet , P. Claverie , B. Pullman

Different conformations of acetylcholine are observed in the crystals of its chloride (trans-gauche, tg) and bromide (gauche-gauche, gg). Quantum-mechanical computations predict...

1978 Acta Crystallographica Section B 41 citations

The equilibrium structure and rotational constant of HCC+

John A. Montgomery , Clifford E. Dykstra

Using ab initio electronic structure techniques, the equilibrium structure of HCC+ has been predicted and the resulting equilibrium rotational constant (Be) is 44.3 GHz. Through...

1979 The Journal of Chemical Physics 28 citations

Publication Info

Year: 1981
Type: article
Volume: 85
Issue: 3-4
Pages: 397-400
Citations: 8
Access: Closed

External Links

View on DOI.org

Social Impact

Altmetric

The rotational barrier of the allyl anion

PlumX Metrics

Social media, news, blog, policy document mentions

Citation Metrics

OpenAlex

Cite This

APA Style

                            
                                    Pietro Cremaschi, 
                                
                                    Gabriele Morosi, 
                                
                                    Massimo Simonetta
                                
                            (1981). 
                            The rotational barrier of the allyl anion. 
                            Journal of Molecular Structure THEOCHEM
                            , 85
                            (3-4)
                            , 397-400.
                            https://doi.org/10.1016/0166-1280(81)85041-5

Identifiers

DOI: 10.1016/0166-1280(81)85041-5