β Scribed by K.D. Jordan
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Electronic structure calculations of FO and its anion have been performed at rhe QClSD(T) level of ab initio theory using 6-3 l+ G\* and extended Gaussian basis sets. The adiabatic electron affinity of FO is calculated to be 2.08 i 0.2 eV. The 'I+ anion, which is bound by 3 eV. dissociates to Ft O-r
## Abstract A theoretical study of the properties of the linear LiH dimer was undertaken. In this dimer, an unusual type of hydrogen bonding (termed βinverseβ hydrogen bonding by some authors), which involves the hydrogen bonded molecule acting as an electron donor (rather than as a proton donor),
The geometries and fundamental frequencies of the LiBOF anion and the LiB02 molecule were calculated ab initio at MP2/6-3 I+ G\*. Linear forms have the lowest energy in both cases. The calculated electron affinity (EA ) of LiBOz is nearly the same when usingKoopmans'theorem,aswel1astheAPWHFandAPMP2,
The infrared spectrum of the mixed water dime1 HtO.DzO has been obscrvcd at 20 K in a nitrogen matri>r. The O-H(D) . . . 0 stretchins vibrations rut found to be slightly shifted compared to the ccrresponding vibrations in (HzO)? and (DzO)z, The results are intcrprctcd as evidence for the open dimer