Add to ORKGAb-initio SCF MO calculations have been carried out on the adducts of borane and boron trifluoride with carbon monoxide, dinitrogen, and boron fluoride. The calculations correctly predict that BH3 forms stronger complexes than BF3 and that CO forms · stronger complexes than N2. It is predicted that the complexes of BF should be even stronger. These trends ca\u27n be understood from the energies and wave functions of the HOMO and LUMO orbitals of the components
Boron-boron multiple bonds, such as those found in diborenes and diborynes, are typically stabilized...
Effects of basis set and electron correlation on the equilibrium geometry, force constants and vibra...
Winkelhaus D, Neumann B, Stammler H-G, Berger R, Vishnevskiy Y, Mitzel NW. Inherent Stability Limits...
Ab-initio SCF MO calculations have been carried out on the adducts of borane and boron trifluoride w...
The complexes formed between boron trifluoride and formaldehyde, acetaldehyde, formamide, formic aci...
A number of electron donor-acceptor complexes formed between boron trifluoride and nitrous acid have...
Boron trifluoride acts as a classical Lewis acid in forming molecular complexes with a variety of el...
A number of electron donor-acceptor complexes formed between boron trifluoride and nitrous acid have...
Ab initio molecular orbital calculations at the G-2 and CBS-4 compound levels of theory were used to...
The ability of B atoms on two different molecules to engage with one another in a noncovalent diboro...
The structures, interaction energies and vibrational spectra of the van derWaals complexes formed be...
Ab initio molecular orbital calculations at the G-2 and CBS-4 levels of theory were used to determin...
A set of complexes L<sub>2</sub>HB···BeX<sub>2</sub> (L = CNH, CO, CS, N<sub>2</sub>, NH<sub>3</sub>...
The IR spectra (4000-400 cm-1) of COF2/BF3 mixtures, dissolved in liquefied argon (LAr), krypton (LK...
In this work, we investigate theoretically the energetics of some of the simplest boron-boron boron-...
Boron-boron multiple bonds, such as those found in diborenes and diborynes, are typically stabilized...
Effects of basis set and electron correlation on the equilibrium geometry, force constants and vibra...
Winkelhaus D, Neumann B, Stammler H-G, Berger R, Vishnevskiy Y, Mitzel NW. Inherent Stability Limits...
Ab-initio SCF MO calculations have been carried out on the adducts of borane and boron trifluoride w...
The complexes formed between boron trifluoride and formaldehyde, acetaldehyde, formamide, formic aci...
A number of electron donor-acceptor complexes formed between boron trifluoride and nitrous acid have...
Boron trifluoride acts as a classical Lewis acid in forming molecular complexes with a variety of el...
A number of electron donor-acceptor complexes formed between boron trifluoride and nitrous acid have...
Ab initio molecular orbital calculations at the G-2 and CBS-4 compound levels of theory were used to...
The ability of B atoms on two different molecules to engage with one another in a noncovalent diboro...
The structures, interaction energies and vibrational spectra of the van derWaals complexes formed be...
Ab initio molecular orbital calculations at the G-2 and CBS-4 levels of theory were used to determin...
A set of complexes L<sub>2</sub>HB···BeX<sub>2</sub> (L = CNH, CO, CS, N<sub>2</sub>, NH<sub>3</sub>...
The IR spectra (4000-400 cm-1) of COF2/BF3 mixtures, dissolved in liquefied argon (LAr), krypton (LK...
In this work, we investigate theoretically the energetics of some of the simplest boron-boron boron-...
Boron-boron multiple bonds, such as those found in diborenes and diborynes, are typically stabilized...
Effects of basis set and electron correlation on the equilibrium geometry, force constants and vibra...
Winkelhaus D, Neumann B, Stammler H-G, Berger R, Vishnevskiy Y, Mitzel NW. Inherent Stability Limits...