Zobrazeno 1 - 2
of 2
pro vyhledávání: '"35"'
Publikováno v:
Journal of the American Chemical Society. 123:4826-4833
We investigate the effects of zero-point vibrational motion on the nuclear magnetic shielding constants of a large number of organic molecules. The vibrational corrections include anharmonic contributions from the potential energy surface and harmoni
Publikováno v:
Journal of the American Chemical Society. 123(35)
During the past decade a number of HRgY molecules (H ) hydrogen; Rg ) Ar, Kr, Xe; Y ) an electronegative fragment) have been characterized experimentally in rare-gas solids and computationally by using ab initio methods.1,2 These species are formed f