22 citations · 23 across the 3 of their papers we have counts for
3 papers · 1 filter
Tetrahedral Units: For Dodecahedral Super-Structures
Y. Ortiz, D. J. Klein, J. F. Liebman
Different novel organic-chemical possibilities for tetrahedral building units are considered, with attention to their utility in constructing different super-structures. As a repre…
The heats of formation of the haloacetylenes XCCY [X, Y = H, F, Cl]: basis set limit ab initio results and thermochemical analysis
Srinivasan Parthiban, Jan M. L. Martin, Joel F. Liebman
The heats of formation of haloacetylenes are evaluated using the recent W1 and W2 ab initio computational thermochemistry methods. These calculations involve CCSD and CCSD(T) coupl…
Definitive heat of formation of methylenimine, CH2=NH, and of methylenimmonium ion, CH2NH2+, by means of W2 theory
Glenisson de Oliveira, Jan M. L. Martin, Indira K. C. Silwal +1
A long-standing controversy concerning the heat of formation of methylenimine has been addressed by means of the W2 (Weizmann-2) ab initio thermochemical approach. Our best calcula…