AN APPROXIMATE RELATION BETWEEN ORBITAL SCF ENERGIES AND TOTAL SCF ENERGY IN MOLECULES.RUEDENBERG K.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 66; NO 1; PP. 375-376; BIBL. 2 REF.Article

SYSTEMATIC APPROACH TO EXTENDED EVEN-TEMPERED ORBITAL BASES FOR ATOMIC AND MOLECULAR CALCULATIONSFELLER DF; RUEDENBERG K.1979; THEOR. CHIM. ACTA; DEU; DA. 1979; VOL. 52; NO 3; PP. 231-251; BIBL. 18 REF.Article

EVEN-TEMPERED ATOMIC ORBITALS. VII. THEORETICAL EQUILIBRIUM GEOMETRIES AND REACTION ENERGIES FOR CARBON SUBOXIDE AND OTHER MOLECULES CONTAINING CARBON, OXYGEN, AND HYDROGEN.BARDO RD; RUEDENBERG K.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 3; PP. 932-936; BIBL. 14 REF.Article

EFFECTIVE CONVERGENCE TO COMPLETE ORBITAL BASES AND TO THE ATOMIC HARTREE-FOCK LIMIT THROUGH SYSTEMATIC SEQUENCES OF GAUSSIAN PRIMITIVESSCHMIDT MW; RUEDENBERG K.1979; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1979; VOL. 71; NO 10; PP. 3951-3962; BIBL. 21 REF.Article

EVEN-TEMPERED ATOMIC ORBITALS. VI. OPTIMAL ORBITAL EXPONENTS AND OPTIMAL CONTRACTIONS OF GAUSSIAN PRIMITIVES FOR HYDROGEN, CARBON, AND OXYGEN IN MOLECULES.BARDO RD; RUEDENBERG K.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 3; PP. 918-931; BIBL. 25 REF.Article

MCSCF OPTIMIZATION THROUGH COMBINED USE OF NATURAL ORBITALS AND THE BRILLOUIN-LEVY-BERTHIER THEOREMRUEDENBERG K; CHEUNG LM; ELBERT ST et al.1979; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1979; VOL. 16; NO 5; PP. 1069-1101; ABS. FRE/GER; BIBL. 31 REF.Article

CONCERTED DIHYDROGEN EXCHANGE BETWEEN ETHANE AND ETHYLENE. SCF AND FORS CALCULATIONS OF THE BARRIERFELLER DF; SCHMIDT MW; RUEDENBERG K et al.1982; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1982; VOL. 104; NO 4; PP. 960-967; BIBL. 22 REF.Article

MOLECULAR ORBITAL BONDING CONCEPTS IN POLYATOMIC MOLECULES. A NOVEL PICTORIAL APPROACH.HOFFMAN DK; RUEDENBERG K; VERKADE JG et al.1977; STRUCT. AND BONDG; GERM.; DA. 1977; VOL. 33; PP. 57-96; BIBL. 14 REF.Article

ARE ATOMS INTRINSIC TO MOLECULAR ELECTRONIC WAVEFUNCTIONS. II: ANALYSIS OF FORS ORBITALSRUEDENBERG K; SCHMIDT MW; GILBERT MM et al.1982; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1982; VOL. 71; NO 1; PP. 51-64; BIBL. 22 REF.Article

ELECTRONIC REARRANGEMENTS DURING CHEMICAL REACTIONS. II: PLANAR DISSOCIATION OF ETHYLENECHEUNG LM; SUNDBERG KR; RUEDENBERG K et al.1979; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1979; VOL. 16; NO 5; PP. 1103-1139; ABS. FRE/GER; BIBL. 23 REF.Article

LOCALIZED CHARGE DISTRIBUTIONS. VII. TRANSFERABLE LOCALIZED MOLECULAR ORBITALS FOR ACYCLIC HYDROCARBONS.ENGLAND W; GORDON MS; RUEDENBERG K et al.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 37; NO 3; PP. 177-216; BIBL. 1 P.Article

DIMERIZATION OF CARBENE TO ETHYLENECHEUNG LM; SUNDBERG KR; RUEDENBERG K et al.1978; J. AMER. CHEM. SOC.; USA; DA. 1978; VOL. 100; NO 25; PP. 8024-8025; BIBL. 3 REF.Article

Quadratic steepest descent on potential energy surfaces. II: Reaction path following without analytic HessiansJUN-QIANG SUN; RUEDENBERG, K.The Journal of chemical physics. 1993, Vol 99, Num 7, pp 5269-5275, issn 0021-9606Article

Bifurcations and transition statesVALTAZANOS, P; RUEDENBERG, K.Theoretica chimica acta. 1986, Vol 69, Num 4, pp 281-307, issn 0040-5744Article

ARE ATOMS INTRINSIC TO MOLECULAR ELECTRONIC WAVE FUNCTIONS. I: THE FORS MODELRUEDENBERG K; SCHMIDT MW; GILBERT MM et al.1982; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1982; VOL. 71; NO 1; PP. 41-49; BIBL. 27 REF.Article

Gradient extremals and steepest descent lines on potential energy surfacesJUN-QIANG SUN; RUEDENBERG, K.The Journal of chemical physics. 1993, Vol 98, Num 12, pp 9707-9714, issn 0021-9606Article

A quantum chemical determination of diabatic statesRUEDENBERG, K; ATCHITY, G. J.The Journal of chemical physics. 1993, Vol 99, Num 5, pp 3799-3803, issn 0021-9606Article

The ring opening of substituted cyclopropylidenes to substituted allenes: the effects of steric and long-range electrostatic interactionsVALTAZANOS, P; RUEDENBERG, K.Theoretica chimica acta. 1991, Vol 78, Num 5-6, pp 397-416, issn 0040-5744, 20 p.Article

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

Strong shifts in diabatic nondynamic electron correlations cause conical intersection between low-lying closed-shell adiabatic singlets of like symmetry in ozoneATCHITY, G. J; RUEDENBERG, K.The Journal of chemical physics. 1993, Vol 99, Num 5, pp 3790-3798, issn 0021-9606Article

Quadratic steepest descent on potential energy surfaces. I: Basic formalism and quantitative assessmentJUN-QIANG SUN; RUEDENBERG, K.The Journal of chemical physics. 1993, Vol 99, Num 7, pp 5257-5268, issn 0021-9606Article

ARE ATOMS INTRINSIC TO MOLECULAR ELECTRONIC WAVE FUNCTIONS. III: ANALYSIS OF FORS CONFIGURATIONSRUEDENBERG K; SCHMIDT MW; GILBERT MM et al.1982; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1982; VOL. 71; NO 1; PP. 65-78; BIBL. 21 REF.Article

The ring opening of cyclopropylidene to allene: key features of the accurate reaction surfaceXANTHEAS, S; ELBERT, S. T; RUEDENBERG, K et al.Theoretica chimica acta. 1991, Vol 78, Num 5-6, pp 365-395, issn 0040-5744, 31 p.Article

Chemical deformation densities. I: Principles and formulation of quantitative determinationSCHWARZ, W. H. E; RUEDENBERG, K; MENSCHING, L et al.Journal of the American Chemical Society. 1989, Vol 111, Num 18, pp 6926-6933, issn 0002-7863, 8 p.Article

Gradient extremalsHOFFMAN, D. K; NORD, R. S; RUEDENBERG, K et al.Theoretica chimica acta. 1986, Vol 69, Num 4, pp 265-279, issn 0040-5744Article