B. Roos

First‐order properties and the Hellmann–Feynman theorem in the case of a limited <scp>CI</scp> wave function

Per‐olof Nerbrant, B. Roos, Andrzej J. Sadlej · International Journal of Quantum Chemistry · 1979 · 109 citations

Natural Sciences, Chemistry, Physics +11

Ab initio molecular orbital calculations on the water-carbon dioxide system. Reaction pathway for water + carbon dioxide .fwdarw. carbonic acid

Bo Jönsson, Gunnar Karlström, Håkan Wennerström et al. · Journal of the American Chemical Society · 1977 · 93 citations

Natural Sciences, Chemistry, Computational Chemistry +10

A theoretical study of the N 8 cubane to N 8 pentalene isomerization reaction

Laura Gagliardi, Stefano Evangelisti, Per -Olof Widmark et al. · Theoretical Chemistry Accounts · 1997 · 70 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +6

Semi-empirical Parameters in pi-Electron Systems. I. Method and Application to Pure Hydrocarbons.

B. Roos, P. N. Skancke, Åke Alnås et al. · Acta chemica Scandinavica/Acta chemica Scandinavica. B, Organic chemistry and biochemistry/Acta chemica Scandinavica. A, Physical and inorganic chemistry/Acta chemica Scandinavica. Series B. Organic chemistry and biochemistry/Acta chemica Scandinavica. Series A, Physical and inorganic chemistry · 1967 · 59 citations · Full text

Natural Sciences, Chemistry, Physical Chemistry +15

The transport properties and the equation of state of gaseous para- and ortho-hydrogen and their mixtures below 40°K

E. G. D. Cohen, M.J. Offerhaus, J. M. J. van Leeuwen et al. · Physica · 1956 · 52 citations

Natural Sciences, Chemistry, Physical Chemistry +11