Comparative study of benzene··· X (X = O2, N2, CO) complexes using density functional theory : the importance of an accurate exchange-correlation energy density at high reduced density gradients
ContributorsWesolowski, Tomasz Adam; Parisel, Olivier; Ellinger, Yves; Weber, Jacques
Published inThe journal of physical chemistry. A, vol. 101, no. 42, p. 7818-7825
Publication date1997
Abstract
Research group
Citation (ISO format)
WESOLOWSKI, Tomasz Adam et al. Comparative study of benzene··· X (X = O2, N2, CO) complexes using density functional theory : the importance of an accurate exchange-correlation energy density at high reduced density gradients. In: The journal of physical chemistry. A, 1997, vol. 101, n° 42, p. 7818–7825. doi: 10.1021/jp970586k