1,721,010 research outputs found
Ab initio calculation on the one- and two-photon electronic transitions of the conjugated isomers of benzene
No full textAb initio study of the molecular structure and photoelectron spectra of caged monoamines and diamines
No full text
A DFT investigation of structure and spectroscopic properties of pyrazolo[4,3-e][1,2,4]triazine natural products
No full text
An ab-initio study of many-body effects in the inner-valence region of cis-, trans-, and iso-dichloroethylene
No full textA DFT investigation of structure and spectroscopic properties of haplophytine and its half-molecules
No full text
Theoretical study of the low-lying excited states of ABCO, DABCO, and homologous cage amines
No full textA Green's function ab initio study of the outer valence ionization potentials of the simplest fulvenes, fulvalenes and spirenes
No full text- …
