A dimensionally scaled generalization of constrained search energy density functionalsVALONE, S. M.International journal of quantum chemistry. 1994, Vol 49, Num 5, pp 591-600, issn 0020-7608Article

A new single-center method to compute molecular integrals of quantum chemistry in slater-type orbital basis of functionsBOUFERGUENE, A; RINALDI, D.International journal of quantum chemistry. 1994, Vol 50, Num 1, pp 21-42, issn 0020-7608Article

Ab initio on the IRC and rate constant of the reaction between acetylene and the hydrogen atomDE-CAI FANG; XIAO-YUAN FU.International journal of quantum chemistry. 1994, Vol 49, Num 1, pp 3-10, issn 0020-7608Article

Ab initio study of the low-lying electronic states of the CH₂NO₂ radicalCAI, Z.-L.International journal of quantum chemistry. 1994, Vol 49, Num 6, pp 781-788, issn 0020-7608Article

Approximately N-representable density functional density matricesSOIRAT, A; FLOCCO, M; MASSA, L et al.International journal of quantum chemistry. 1994, Vol 49, Num 3, pp 291-298, issn 0020-7608Article

Chemical effects and surface properties : the nature of an adsorbed complexDEL RE, G; PELUSO, A.International journal of quantum chemistry. 1994, Vol 49, Num 4, pp 429-448, issn 0020-7608Article

Dimer form of 1,3-dimethyluracil studied by the AM1 semiempirical methodALCOLEA PALAFOX, M; IZA, N; GIL, M et al.International journal of quantum chemistry. 1994, Vol 51, Num 3, pp 141-159, issn 0020-7608Article

Energy levels of small titanium oxide clusters obtained from SCF calculationsHAGFELDT, A; LUNELL, S; SIEGBAHN, H. O. G et al.International journal of quantum chemistry. 1994, Vol 49, Num 2, pp 97-104, issn 0020-7608Article

Frequency-dependent hyperpolarizabilities in the Brueckner coupled-cluster theoryAIGA, F; SASAGANE, K; ITOH, R et al.International journal of quantum chemistry. 1994, Vol 51, Num 2, pp 87-97, issn 0020-7608Article

Net signs of molecular graphs : dependence of molecular structureGUTMAN, I; SHYI-LONG LEE; YEUNG-LONG LUO et al.International journal of quantum chemistry. 1994, Vol 49, Num 2, pp 87-95, issn 0020-7608Article

On the applicability of the screened-Coulomb exchange model in Kohn-Sham density functional studiesPROYNOV, E. I; SALAHUB, D. R.International journal of quantum chemistry. 1994, Vol 49, Num 2, pp 67-80, issn 0020-7608Article

On the space of eigenvectors of molecular quantum mechanicsWULFMAN, C.International journal of quantum chemistry. 1994, Vol 49, Num 3, pp 185-195, issn 0020-7608Article

Potential energy surfaces of carbon dioxideXANTHEAS, S. S; RUEDENBERG, K.International journal of quantum chemistry. 1994, Vol 49, Num 4, pp 409-427, issn 0020-7608Article

Quantum chemical study of catalysts based on oxides of transition metalsSHCHEKA, O. L; DOBRODEY, M. V; EMELINA, T. B et al.International journal of quantum chemistry. 1994, Vol 50, Num 3, pp 181-188, issn 0020-7608Article

Second quantization and coefficients of fractional parentageBERNOTAS, A; KANIAUSKAS, J.International journal of quantum chemistry. 1994, Vol 50, Num 4, pp 293-315, issn 0020-7608Article

Self-dual phase-space representation of quantum mechanics and the variational principleWŁODARZ, J. J.International journal of quantum chemistry. 1994, Vol 51, Num 3, pp 123-133, issn 0020-7608Article

Structure of the ammonia dimer studied by density functional theoryTIANHAI ZHU; WEITAO YANG.International journal of quantum chemistry. 1994, Vol 49, Num 5, pp 613-623, issn 0020-7608Article

Substituent effects on chemical hardnessKNEISLER, J; ZHONGXIANG ZHOU.International journal of quantum chemistry. 1994, Vol 49, Num 3, pp 309-320, issn 0020-7608Article

The relative stability of the tautomers of α-hydroxytetronic acidBÄCKER, T; KLESSINGER, M; ECKER-MAKSIC, M et al.International journal of quantum chemistry. 1994, Vol 50, Num 6, pp 385-394, issn 0020-7608Article

A new model of a molecule based on the soft bodyKONARSKI, J.International journal of quantum chemistry. 1994, Vol 51, Num 6, pp 439-445, issn 0020-7608Conference Paper

Some current problems in theoretical chemical physics to be solvedLÖWDIN, P.-O.International journal of quantum chemistry. 1994, Vol 51, Num 6, pp 473-485, issn 0020-7608Conference Paper

Ab initio study of the internal rotation barrier of formamide and the formamide-H₂O complexXIAO-CHUAN WANG; FACELLI, J. C; SIMONS, J et al.International journal of quantum chemistry. 1993, Vol 45, Num 2, pp 123-132, issn 0020-7608Article

Accurate computation of eigenfunctions for Schrödinger operators in one dimensionNUNEZ, M. A; IZQUIERDO B., G.International journal of quantum chemistry. 1993, Vol 47, Num 6, pp 405-423, issn 0020-7608Article

Computation of auxiliary functions in STO molecular integrals up to arbitrary accuracy. I. Evaluation of incomplete gamma function E_n(x) by forward recursionYANXIN LI; XIALAN DONG; PAN, S et al.International journal of quantum chemistry. 1993, Vol 45, Num 1, pp 3-14, issn 0020-7608Article

Coupled cluster Green's function method : working equations and applicationsNOOIJEN, M; SNIJDERS, J. G.International journal of quantum chemistry. 1993, Vol 48, Num 1, pp 15-48, issn 0020-7608Article