George R. De Maré

Ab initio study of rotational isomerism in 1,3-butadiene. Effect 21 of geometry optimization and basis set size on the barriers to rotation and on the stable rotamers

George R. De Maré, Daniel Neisius · Journal of Molecular Structure THEOCHEM · 1984 · 48 citations

Natural Sciences, Chemistry, Physics +13

Structure of the High-Energy Conformer of 1,3-Butadiene

George R. De Maré, Yu. N. Panchenko, J. Vander Auwera · The Journal of Physical Chemistry A · 1997 · 48 citations

Natural Sciences, Chemistry, Physics +17

The 213.8-nm photochemistry of gaseous 1,3-butadiene and the structure of some C3H3 radicals

Guy J. Collin, Hélène Deslauriers, George R. De Maré et al. · The Journal of Physical Chemistry · 1990 · 46 citations

Natural Sciences, Chemistry, Organic Chemistry +4

Rotational barriers and stable rotamers in 1,3-butadiene, acrolein and glyoxal

George R. De Maré · Journal of Molecular Structure THEOCHEM · 1984 · 33 citations

Natural Sciences, Biochemistry, Chemistry +11

Testing the Validity of Scaling the Quantum Mechanical Molecular Force Fields for Rotational Isomers

Yu. N. Panchenko, George R. De Maré · The Journal of Physical Chemistry · 1995 · 32 citations

Natural Sciences, Chemistry, Physics +16