Ab initio calculations on the structure of the cyclopropenyl anion

[1]  L. J. Schaad,et al.  Ab initio second-order Moller-Plesset calculation of the vibrational spectra of cyclobutadiene and its isotopic derivatives , 1983 .

[2]  L. J. Schaad,et al.  Theoretical vibrational spectra of the dideuteriocyclobutadienes , 1982 .

[3]  L. J. Schaad,et al.  Calculated infrared and Raman spectra of the 1Ag ground states of rectangular cyclobutadiene and tetradeuteriocyclobutadiene , 1979 .

[4]  E. Davidson,et al.  The potential surfaces for the lowest singlet and triplet states of cyclobutadiene , 2002 .

[5]  M. Newton,et al.  Potential energy surfaces of cyclobutadiene: ab initio SCF and CI calculations for the low-lying singlet and triplet states , 1978 .

[6]  J. Bertie,et al.  Cyclobutadiene is not square , 1978 .

[7]  V. Staemmler,et al.  On the structure of cyclobutadiene. Theoretical determination of its infrared spectrum , 1978 .

[8]  H. Kollmar.  The stability of alkyl anions. A molecular orbital theoretical study , 1978 .

[9]  M. Heaton.  Theoretical value for the photodetachment energy of NH−2 , 1977 .

[10]  E. Davidson,et al.  The potential surface for planar cyclopropenyl radical and anion , 1977 .

[11]  J. Wendoloski,et al.  On the existence of negative ions of nonionic polar molecules: Studies of HF−, H2O−, HCN−, (HF)−2, H3NO− and CH3CN−* , 1977 .

[12]  J. Simons,et al.  A calculation of the electron detachment energy of NO2 , 1977 .

[13]  M. Wasielewski,et al.  Thermodynamic measurements on unsubstituted cyclopropenyl radical and anion, and derivatives, by second harmonic alternating current voltammetry of cyclopropenyl cations , 1976 .

[14]  R. Zahradník,et al.  A deeper insight into the structure and isomerization reactions of the cyclopropenyl-type systems , 1976 .

[15]  C. Pittman,et al.  INDO [intermediate neglect of differential overlap] theoretical studies. VI. Cyclopropenyl, azirinyl, and diazirinyl cations , 1974 .

[16]  A. Duke.  A Hartree—Fock study of the methyl anion and its inversion potential surface: Use of an augmented basis set for this species , 1973 .

[17]  N. C. Baird,et al.  Applications of quantum chemistry—III : Rotation barriers and thermodynamic stabilities for conjugated carbocations , 1972 .

[18]  R. Breslow,et al.  pK.alpha. of triphenylcyclopropene. Electrochemical determination of an inaccessible equilibrium constant , 1969 .

[19]  Joseph J. Gajewski,et al.  Antiaromaticity of cyclopropenyl anions , 1967 .

[20]  L. C. Snyder.  A SIMPLE MOLECULAR ORBITAL STUDY OF AROMATIC MOLECULES AND IONS HAVING ORBITALLY DEGENERATE GROUND STATES , 1962 .