tetramethyleneethane
National Institutes of Health
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The recently proposed approach to multireference dynamic correlation energy based on the adiabatic connection (AC) is extended to…
Libor Veis,1, ∗ Andrej Antalík,1, † Örs Legeza,2, ‡ Ali Alavi,3, 4, § and Jiří Pittner1, ¶ J. Heyrovský Institute of Physical…
New reactions and reagents that allow for multiple bond-forming events per synthetic operation are required to achieve structural…
This paper reports the development of a local variant of Mukherjee's state-specific multireference coupled cluster method based…
Disjoint non-Kekulé molecules are diradicals that present two independent radical centers and can violate Hund's rule, according…
The nature of the electronic ground state of the tetramethyleneethane (TME) diradical has proven to be a challenge for both…
This perspective describes research, carried out in the authors' labs over the past forty years, aimed at understanding…
A new version of the multireference Mukherjee's coupled cluster method with perturbative triexcitations has been formulated…
On irradiation of p-chloranil (CA), 2,2-bis(p-methoxyphenyl)-3,3-dimethyl-4-methylenecyclobutanone (1) gives 2,2-bis(p…
The negative ion chemistry and photoelectron spectra of [CH2C(CH3)–C(CH2)2]– and [(CH2)2C–C(CH2)2]– have been studied. The…