A quantum Monte Carlo simulation of the two-dimensional H₂ moleculeBIANCHI, R; BRESSANINI, D; CREMASCHI, P et al.International journal of quantum chemistry. 1994, Vol 50, Num 6, pp 401-410, issn 0020-7608Article

Ab initio CI calculations on benzene with an extended basis setYAMAMOTO, Y; NORO, T; OHNO, K et al.International journal of quantum chemistry. 1994, Vol 51, Num 1, pp 27-33, issn 0020-7608Article

Ab initio studies on the mechanism of the cycloaddition reaction between ketene and alleneDE-CAI FANG; XIAO-YUAN FU.International journal of quantum chemistry. 1994, Vol 50, Num 2, pp 93-99, issn 0020-7608Article

An initio study of the inversion barrier in NF₃⁺WETZEL, T. L; SHORROSH, R; BORKMAN, R. F et al.International journal of quantum chemistry. 1994, Vol 50, Num 2, pp 151-160, issn 0020-7608Article

Analytic properties of connected moments expansionsMANCINI, J. D; YU ZHOU; MEIER, P. F et al.International journal of quantum chemistry. 1994, Vol 50, Num 2, pp 101-107, issn 0020-7608Article

Calculating excitation energies with the help of cumulantsSCHORK, T; FULDE, P.International journal of quantum chemistry. 1994, Vol 51, Num 3, pp 113-122, issn 0020-7608Article

Does antiaromaticity imply net destabilization ?MURRAY, J. S; SEMINARIO, J. M; POLITZER, P et al.International journal of quantum chemistry. 1994, Vol 49, Num 5, pp 575-579, issn 0020-7608Article

Feynman path integral representation for many-fermion interacting systemsCALAMANTE, F; BOCHICCHIO, R. C; GRINBERG, H et al.International journal of quantum chemistry. 1994, Vol 49, Num 6, pp 789-804, issn 0020-7608Article

Incidence of the muffin-tin approximation on the electronic structure of large clusters calculated by the MS-LSD method : the typical case of C₆₀RAZAFINJANAHARY, H; ROGEMOND, F; CHERMETTE, H et al.International journal of quantum chemistry. 1994, Vol 51, Num 5, pp 319-328, issn 0020-7608Article

Molecular cyclicity and centricity of polycyclic graphs. I: Cyclicity based on resistance distances or reciprocal distancesBONCHEV, D; BALABAN, A. T; XIAOYU LIU et al.International journal of quantum chemistry. 1994, Vol 50, Num 1, pp 1-20, issn 0020-7608Article

Molecular electrostatic charge models : a topographical approachSHRIVASTAVA, I. H; GADRE, S. R.International journal of quantum chemistry. 1994, Vol 49, Num 4, pp 397-407, issn 0020-7608Article

Nonadiabatic NO expansions for the ground state wave function of H₂⁺BLANKE, G; KLEINDIENST, H.International journal of quantum chemistry. 1994, Vol 51, Num 1, pp 3-11, issn 0020-7608Article

Optimized triple-zeta Gaussian basis sets for use with relativistic effective potentialsFERNANDEZ PACIOS, L; GOMEZ, P. C.International journal of quantum chemistry. 1994, Vol 49, Num 6, pp 817-833, issn 0020-7608Article

Path integral approach to correlation energyKAWABE, H; NISHIKAWA, K; AONO, S et al.International journal of quantum chemistry. 1994, Vol 51, Num 5, pp 265-283, issn 0020-7608Article

Population analysis of pair densities : a link between quantum chemical and classical picture of chemical structurePONEC, R; STRNAD, M.International journal of quantum chemistry. 1994, Vol 50, Num 1, pp 43-53, issn 0020-7608Article

Quadrupole and octupole Cauchy moments of the atoms through argonBARTOLOTTI, L. J; ORTIZ, L; QINGSHAN XIE et al.International journal of quantum chemistry. 1994, Vol 49, Num 4, pp 449-461, issn 0020-7608Article

The helium atom in its ground state embedded in strong magnetic fieldsRIVAS-SILVA, J. F.International journal of quantum chemistry. 1994, Vol 51, Num 3, pp 135-140, issn 0020-7608Article

Why define atoms in real space ?BADER, R. F. W.International journal of quantum chemistry. 1994, Vol 49, Num 3, pp 299-308, issn 0020-7608Article

Quantum phase-space densities for a quartic oscillatorDE POLAVIEJA, G. G; BORONDO, F; BENITO, R. M et al.International journal of quantum chemistry. 1994, Vol 51, Num 6, pp 555-567, issn 0020-7608Conference Paper

Thermal reaction rates with a two-point flux-flux correlation functionLEFEBVRE, R; MOISEYEV, N; RYABOY, V et al.International journal of quantum chemistry. 1994, Vol 51, Num 6, pp 465-472, issn 0020-7608Conference Paper

A theoretical study of the effect of basis sets on stationary structures for the addition of carbon dioxide to methylamine : a relation among geometries, energy status, and electronic structuresANDRES, J; MOLINER, V; KRECHL, J et al.International journal of quantum chemistry. 1993, Vol 45, Num 5, pp 433-444, issn 0020-7608Article

Ab initio study of low-lying electronic states of the FNO₂ moleculeCAI, Z.-L; WANG, Y.-F; XIAO, H.-M et al.International journal of quantum chemistry. 1993, Vol 45, Num 1, pp 51-57, issn 0020-7608Article

Atomic integrals containing r^λ₂₃r^μ₁₃r^ν12 with λ, μ, ν ≥ -2LÜCHOW, A; KLEINDIENST, H.International journal of quantum chemistry. 1993, Vol 45, Num 5, pp 445-470, issn 0020-7608Article

Classical and quantum study of a generalized Kepler-Coulomb systemKIBLER, M; CAMPIGOTTO, C.International journal of quantum chemistry. 1993, Vol 45, Num 2, pp 209-224, issn 0020-7608Article

Diagrammatic analysis and application of the coupled cluster response approach to ground-state expectation valuesNOOIJEN, M; SNIJDERS, J. G.International journal of quantum chemistry. 1993, Vol 47, Num 1, pp 3-47, issn 0020-7608Article