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Accurate partial atomic charges for high-energy molecules using class IV charge models with the MIDI! basis set JOURNAL ARTICLE published April 2005 in Theoretical Chemistry Accounts |
SCF-MO-LCGO studies on hydrogen bonding. The water dimer JOURNAL ARTICLE published 1971 in Theoretica Chimica Acta |
Electron densities from the Brueckner Doubles method JOURNAL ARTICLE published July 1993 in Theoretica Chimica Acta |
Clifford algebra and unitary group formulations of the many-electron problem JOURNAL ARTICLE published 1988 in Theoretica Chimica Acta |
Electronic structure of linear halogen compounds JOURNAL ARTICLE published 1974 in Theoretica Chimica Acta |
Fock space multireference coupled cluster theory: noniterative inclusion of triples for excitation energies JOURNAL ARTICLE published 20 April 1998 in Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) |
A CSF-based multireference coupled pair approximation JOURNAL ARTICLE published June 1993 in Theoretica Chimica Acta |
Catchment region partitioning of energy hypersurfaces, I JOURNAL ARTICLE published April 1981 in Theoretica Chimica Acta |
Comparative theoretical study of the dissociation process of the isoelectronic molecules BH3CO, CH2CO, HNCO, CO2 and BH3N2, CH2N2, HN3, N2O JOURNAL ARTICLE published 1982 in Theoretica Chimica Acta |
High-quality Gaussian basis sets for fourth-row atoms JOURNAL ARTICLE published 1992 in Theoretica Chimica Acta |
Polarized basis sets and the calculation of infrared intensities from nuclear electric shielding tensors JOURNAL ARTICLE published December 1985 in Theoretica Chimica Acta |
TiCl, TiH, and TiH + bond energies: a test of a correlation-consistent Ti basis set JOURNAL ARTICLE published 7 December 1999 in Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) |
Molecular interactions in a homogeneous electric field: the (HF)2 complex JOURNAL ARTICLE published March 1993 in Theoretica Chimica Acta |
Adding the linked contributions of Triples and Quadruples to a size-consistent Singles and Doubles CI JOURNAL ARTICLE published November 1993 in Theoretica Chimica Acta |
Atomic electron-pair distances and subshell radii in position and momentum space JOURNAL ARTICLE published 16 June 1999 in Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) |
Finite-field many-body perturbation theory. Calculations of the dipole polarizability of the fluoride ion using electric-field-variant gaussian-type orbitals JOURNAL ARTICLE published 1981 in Theoretica Chimica Acta |
Static electric properties of LiH: explicitly correlated coupled cluster calculations JOURNAL ARTICLE published 30 November 1998 in Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) |
CCSD(T) expectation value calculations of first-order properties JOURNAL ARTICLE published 10 December 1997 in Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) |
Constrained anisotropic dipole oscillator strength distribution techniques, and reliable results for anisotropic and isotropic dipole molecular properties, with applications to H2 and N2 JOURNAL ARTICLE published 1992 in Theoretica Chimica Acta |
Relativistic perturbation theory of chemical properties JOURNAL ARTICLE published 1990 in Theoretica Chimica Acta |