Accurate multi-reference study of Si3 electronic manifold

Bonding and singlet-triplet gap of silicon trimer: Effects of protonation and attachment of alkali metal cations

(2015) Nguyen Minh Tam et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Heats of formation and thermochemical parameters of small silicon clusters and their ions, with n=2–13

(2013) Nguyen Minh Tam et al.   CHEMICAL PHYSICS LETTERS

Accurate Study of the Two Lowest Singlet States of HN3: Stationary Structures and Energetics at the MRCI Complete Basis Set Limit

(2013) B. R. L. Galvão et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The electronic spectrum of Si3 I: Triplet D3h system

(2012) N. J. Reilly et al.   JOURNAL OF CHEMICAL PHYSICS

Electron impact ionization cross-section of C2, C3, Si2, Si3, SiC, SiC2and Si2C

(2012) Rahla Naghma et al.   MOLECULAR PHYSICS

Accurate predictions of the energetics of silicon compounds using the multireference correlation consistent composite approach

(2011) Gbenga A. Oyedepo et al.   JOURNAL OF CHEMICAL PHYSICS

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Activation of Carbon−Hydrogen and Hydrogen−Hydrogen Bonds by Copper−Nitrenes: A Comparison of Density Functional Theory with Single- and Multireference Correlation Consistent Composite Approaches

(2009) Sammer M. Tekarli et al.   Journal of Chemical Theory and Computation

Dynamic second-order hyperpolarizabilities of Si3 and Si4 clusters using coupled cluster cubic response theory

(2008) You-Zhao Lan et al.   CHEMICAL PHYSICS LETTERS