Concepedia

Electronic spectra of adenine and 2-aminopurine: an ab initio study of energy level diagrams of different tautomers in gas phase and aqueous solution

Shashi Kant Mishra, Manoj K. Shukla, P. C. Mishra

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2000 · 81 citations · 37 references

DOI

Concepts

References

37

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

Stanislav Miertuš, Eolo Scrocco, J. Tomasi · Chemical Physics · 1981 · 8.9K citations

, , +16

Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes

Stanislav Miertuš, J. Tomasi · Chemical Physics · 1982 · 2.5K citations

, , +17

An intermediate neglect of differential overlap technique for spectroscopy: Pyrrole and the azines

Joan E. Ridley, Michael C. Zerner · Theoretical Chemistry Accounts · 1973 · 2K citations

, , +8

Use of the CNDO Method in Spectroscopy. I. Benzene, Pyridine, and the Diazines

Janet E. Del Bene, H. H. Jaffé · The Journal of Chemical Physics · 1968 · 1.3K citations

, , +16

Triplet states via intermediate neglect of differential overlap: Benzene, pyridine and the diazines

Joan E. Ridley, Michael C. Zerner · Theoretical Chemistry Accounts · 1976 · 644 citations

, , +10