The monocyclic p-lactam ~[4(S)-methyl-2-oxo-1-azetidinyllthialacetic acid was studied by the semiempirical molecular orbital methods AM1, MNDO, and MIND0/3. Using the reaction coordinate option in the program MOPAC on VAX and Cray X-MP computers, the potential energy curve was calculated for rotatio
β¦ LIBER β¦
A derivation of the shapes and energies of the molecular orbitals of 1,3-dipoles. Geometry optimizations of these species by MINDO/2 and MINDO/3
β Scribed by Caramella, Pierluigi; Gandour, Ruth W.; Hall, Janet A.; Deville, Cynthia G.; Houk, K. N.
- Book ID
- 121851599
- Publisher
- American Chemical Society
- Year
- 1977
- Tongue
- English
- Weight
- 909 KB
- Volume
- 99
- Category
- Article
- ISSN
- 0002-7863
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Numerical sensitivity of trajectories ac
β
Donald B. Boyd; David W. Smith; James J. P. Stewart; Erich Wimmer
π
Article
π
1988
π
John Wiley and Sons
π
English
β 913 KB
A semiempirical (AM1, MNDO, and MINDO/3)
β
Moyano, Albert; Pericas, Miquel A.; Serratosa, Felix; Valenti, Eduard
π
Article
π
1987
π
American Chemical Society
π
English
β 910 KB
Photoacoustic measurements and mindo/3 c
β
Norman A. GarcΓa; Gerald Rossbroich; Silvia E. Braslavsky; Heinz DΓΌrr; Carmen Do
π
Article
π
1985
π
Elsevier Science
β 678 KB
On the applicability of the MINDO/3 meth
β
D. Van Hemelrijk; W. Versichel; C. Van Alsenoy; H. J. Geise
π
Article
π
1981
π
John Wiley and Sons
π
English
β 584 KB
## Abstract The geometries and force fields of the different conformers of five alkenes and five chloroalkanes (17 conformers in total) were calculated in the MINDO/3 approximation and compared with the corresponding experimental values. The direct use of geometrical or vibrational parameters deriv
Molecular structure, orbital structure,
β
V. A. Shagun; N. I. Golovanova; S. E. Korostova; B. A. Trofimov
π
Article
π
1990
π
Springer
π
English
β 618 KB
A theoretical study of the intramolecula
β
J. AndrΓ©s; A. Arnau; E. Silla; J. Bertran; O. Tapia
π
Article
π
1983
π
Elsevier Science
π
English
β 332 KB