J
John B. Collins
Researcher at University of Erlangen-Nuremberg
Publications - 10
Citations - 1171
John B. Collins is an academic researcher from University of Erlangen-Nuremberg. The author has contributed to research in topics: Molecule & Molecular orbital. The author has an hindex of 8, co-authored 10 publications receiving 1107 citations.
Papers
More filters
Journal ArticleDOI
Self‐consistent molecular orbital methods. XVII. Geometries and binding energies of second‐row molecules. A comparison of three basis sets
TL;DR: In this article, three basis sets (minimal s −p, extended s−p, and minimal s -p with d functions on second row atoms) are used to calculate geometries and binding energies of 24 molecules containing second-row atoms, and d functions are found to be essential in the description of both properties for hypervalent molecules and to be important in the calculations of two-heavy-atom bond lengths even for molecules of normal valence.
Journal ArticleDOI
Stabilization of planar tetracoordinate carbon
John B. Collins,James D. Dill,Eluvathingal D. Jemmis,Yitzhak Apeloig,Paul v. R. Schleyer,Rolf Seeger,John A. Pople +6 more
TL;DR: In this paper, the energies of planar vs. tetrahedral geometries of tetracoordinate organic molecules have been surveyed by ab ini- tio molecular orbital calculations and electropositive substituents, especially lithium, are particularly effective in stabilizing the planar arrangements selectively.
Journal ArticleDOI
Molecular orbital study of tetrahedral, planar, and pyramidal structures of the isoelectronic series BH4-, CH4, NH4+, AlH4-, SiH4, and PH4+
M.-B. Krogh-Jespersen,Jayaraman Chandrasekhar,Ernst Ulrich Wuerthwein,John B. Collins,Paul von Ragué Schleyer +4 more
Journal ArticleDOI
Molecular orbital theory of the electronic structure of molecules. 29. The interaction of molecular hydrogen with simple Lewis acids
Journal ArticleDOI
Stabilization of planar tetracoordinate carbon
John B. Collins,James D. Dill,Eluvathingal D. Jemmis,Yitzhak Apeloig,Paul v. R. Schleyer,Rolf Seeger,John A. Pople +6 more
TL;DR: In this article, the energies of planar vs. tetrahedral geometries of tetracoordinate organic molecules have been surveyed by ab ini- tio molecular orbital calculations and electropositive substituents, especially lithium, are particularly effective in stabilizing the planar arrangements selectively.