@article {3108,
	title = {COMPARISON OF MOLECULAR-ENERGY PREDICTIONS FOR THE NEUTRAL AND IONIC (C, H-N, O N=0-4) SYSTEM BY AB-INITIO GAUSSIAN-2 AND DENSITY-FUNCTIONAL METHODS},
	journal = {Chemical Physics},
	volume = {179},
	number = {3},
	year = {1994},
	note = {ISI Document Delivery No.: MV915Times Cited: 13Cited Reference Count: 42},
	month = {Feb},
	pages = {365-375},
	type = {Article},
	abstract = {{The ionization energies (IEs), electron affinities (EAs), total atomization energies (Sigma D-0), and bond dissociation energies at 0 K (BDEs) for the neutral and ionic (C, H-n, O},
	keywords = {1ST-ROW, ABINITIO, APPROXIMATION, GAS, RADICAL CATION CH3OH.+, THERMOCHEMISTRY},
	isbn = {0301-0104},
	url = {<Go to ISI>://A1994MV91500009},
	author = {Ma, N. L. and Li, W. K. and Chong, D. P. and Ng, C. Y.}
}
@article {6761,
	title = {THEORETICAL-STUDY OF HYDRAZOIC ACID AND METHYL AZIDE},
	journal = {Chemical Physics Letters},
	volume = {175},
	number = {5},
	year = {1990},
	note = {ISI Document Delivery No.: EU257Times Cited: 3Cited Reference Count: 28},
	month = {Dec},
	pages = {525-530},
	type = {Article},
	abstract = {State-of-the-art ab initio computations have been performed on the ground state of HN3 and CH3N3. The methods employed include Roothaan-Hartree-Fock molecular orbitals, single- and double-excitation configuration interaction, as well as modified-coupled-pair-functional approximations. The basis sets chosen for this study are the highly efficient atomic natural orbitals. The variational energies obtained are lower than previous studies and the dipole moments agree with experiment. The agreement between computed and observed nuclear quadrupole coupling constants is satisfactory, especially for N-alpha. It is suggested that improved agreement for the other N atoms requires vibrational averaging and possibly the use of the finite-field method.},
	keywords = {1ST-ROW, ABINITIO, CONSTANTS, GROUND-STATE, MICROWAVE-SPECTRUM, MOMENT, N-14, NH3, NITROGEN, QUADRUPOLE HYPERFINE-STRUCTURE},
	isbn = {0009-2614},
	url = {<Go to ISI>://A1990EU25700020},
	author = {Chong, D. P.}
}
