AB-INITIO AND PSEUDO-POTENTIAL CALCULATIONS ON SOME FIRST, SECOND AND THIRD ROW MOLECULES. A COMPARATIVE STUDYWAHLGREN U.1978; CHEM. PHYS.; NLD; DA. 1978; VOL. 32; NO 2; PP. 215-221; BIBL. 14 REF.Article

AGE DISTRIBUTIONS AND AGE-CLASS EQUATIONS FOR SIMPLE POPULATION-GROWTH AND PREY-PREDATOR MODELSWAHLGREN U.1981; ECOL. MODEL.; ISSN 0304-3800; NLD; DA. 1981; VOL. 12; NO 3; PP. 135-149; BIBL. 9 REF.Article

IVO AND EQUIVALENT CORES TYPE CALCULATIONS ON THE 1S SHAKE-UP SPECTRUM OF WATER.WAHLGREN U.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 33; NO 4; PP. 1109-1117; BIBL. 23 REF.Article

PSEUDOPOTENTIAL, MC-SCF AND LIMITED CI CALCULATIONS ON NICKEL-BIS-DITHIOLENEBLOMBERG MRA; WAHLGREN U.1980; CHEM. PHYS.; NLD; DA. 1980; VOL. 49; NO 1; PP. 117-126; BIBL. 41 REF.Article

VALENCE PHOTOELECTRON SPECTRUM OF COO. AB INITIO CALCULATIONS OF ENERGIES AND RELATIVE INTENSITIES WITHIN A LIMITED CI FRAMEWORKWAHLGREN U; JOHANSON H.1979; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1979; VOL. 15; NO 4; PP. 403-410; ABS. FRE/GER; BIBL. 15 REF.Article

AB INITIO SCF AND LIMITED CI CALCULATIONS OF THE D-D TRANSITIONS IN COBALT OXIDE.JOHANSEN H; WAHLGREN U.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 33; NO 3; PP. 651-661; BIBL. 21 REF.Article

AN AB INITIO STUDY OF ELECTRON DENSITY RELAXATION EFFECTS IN COO DURING IONIZATION.JOHANSEN H; WAHLGREN U.1978; CHEM. PHYS. LETTERS; NETHERL.; DA. 1978; VOL. 55; NO 2; PP. 245-249; BIBL. 18 REF.Article

DETERMINATION OF THE ELECTRONIC STRUCTURES OF METAL COMPLEXES BY THE SCF-XALPHA SCATTERED-WAVE METHODJOHNSON KH; WAHLGREN U.1972; INTERNATION. J. QUANTUM CHEM., SYMP.; U.S.A.; DA. 1972; NO 6; PP. 243-255; BIBL. 1 P.Serial Issue

AB INITIO SCF AND LIMITED CI CALCULATIONS ON THE D-D TRANSITIONS IN NIO.BAGUS PS; WAHLGREN U.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 33; NO 3; PP. 641-650; BIBL. 28 REF.Article

HYDROGEN BOND STUDIES. LXVI. AB INITIO STUDIES OF THE CONFORMATION OF THE OXONIUM ION IN SOLIDSALMLOF J; WAHLGREN U.1973; THEOR. CHIM. ACTA; ALLEM.; DA. 1973; VOL. 28; NO 2; PP. 161-168; ABS. ALLEM.; BIBL. 18 REF.Serial Issue

AB INITIO SCF COMPUTATION OF FORCE CONSTANTS FOR CO₂.PACANSKY J; WAHLGREN U; BAGUS PS et al.1976; THEOR. CHIM. ACTA; ALLEM.; DA. 1976; VOL. 41; NO 4; PP. 301-309; BIBL. 15 REF.Article

LIGAND FIELD TRANSITIONS IN PTCL₄^2- CALCULATED BY THE SCF X_ALPHA SCATTERED-WAVE METHODMESSMER RP; WAHLGREN U; JOHNSON KH et al.1973; CHEM. PHYS. LETTERS; NETHERL.; DA. 1973; VOL. 18; NO 1; PP. 7-10; BIBL. 19 REF.Serial Issue

EFFECTIVE CORE POTENTIAL CALCULATIONS ON SMALL MOLECULES CONTAINING TRANSITION METAL ATOMSGROPEN O; WAHLGREN U; PETTERSON L et al.1982; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1982; VOL. 66; NO 3; PP. 459-464; BIBL. 17 REF.Article

EFFECTIVE CORE POTENTIAL CALCULATIONS ON THE NIH₄^2- ION AS A TEST CASE FOR STUDYING ROTATIONAL BARRIERSGROPEN O; WAHLGREN U; PETTERSSON L et al.1982; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1982; VOL. 66; NO 3; PP. 453-458; BIBL. 21 REF.Article

FORCE CONSTANTS FOR THE SYMMETRIC STRETCH MOTIONS OF ACETYLENE: ACCURATE AB INITIO CALCULATIONS.BAGUS PS; PACANSKY J; WAHLGREN U et al.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 67; NO 2; PP. 618-623; BIBL. 28 REF.Article

SCF AB-INITIO GROUND STATE ENERGY SURFACES FOR CO₂ AND CO₂^-.PACANSKY J; WAHLGREN U; BAGUS PS et al.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 62; NO 7; PP. 2740-2744; BIBL. 15 REF.Article

ELECTRONIC PROPERTIES OF AND REDUCTIVE ELIMINATION FROM DIMETHYL-NICKEL: AN AB INITIO MO-SCF-CI STUDYAKERMARK B; JOHANSEN H; ROOS B et al.1979; J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 20; PP. 5876-5883; BIBL. 29 REF.Article

Theoretical calculations on the structure of the hexahydrated divalent zinc, cadmium and mercury ionsSTROÊMBERG, D; WAHLGREN, U.Chemical physics letters. 1990, Vol 172, Num 1, pp 49-54, issn 0009-2614, 6 p.Article

A theoretical investigation of relative stabilities and interconversion barriers in gem di- and tetrafluoromethylene cyclopropaneSKANCKE, A; WAHLGREN, U.Acta chemica Scandinavica. Series A. Physical and inorganic chemistry. 1983, Vol 37, Num 9, pp 771-776, issn 0302-4377Article

A theoretical study of methyl chemisorption on Ni(111) = Etude théorique de la chimisorption du méthyle sur Ni(111)SCHÜLE, J; SIEGBAHN, P; WAHLGREN, U et al.The Journal of chemical physics. 1988, Vol 89, Num 11, pp 6982-6988, issn 0021-9606Article

Effective core potential parameters for first- and second-row atomsPETTERSSON, L. G. M; WAHLGREN, U; GROPEN, O et al.The Journal of chemical physics. 1987, Vol 86, Num 4, pp 2176-2184, issn 0021-9606Article

Effective core potential calculation using frozen orbitals applications on the fourth period main group elementsSTROMBERG, A; GROPEN, O; WAHLGREN, U et al.The Journal of chemical physics. 1984, Vol 80, Num 4, pp 1593-1596, issn 0021-9606Article

A theoretical study of atomic oxygen chemisorption on the Ni(100) and Ni(111) surfacesSIEGBAHN, P. E. M; WAHLGREN, U.International journal of quantum chemistry. 1992, Vol 42, Num 5, pp 1149-1169, issn 0020-7608Article

Relativistic calculations on platinum hydride using effective core potentials and first-order perturbation theoryGROPEN, O; ALMHÖF, J; WAHLGREN, U et al.The Journal of chemical physics. 1992, Vol 96, Num 11, pp 8363-8366, issn 0021-9606Article

On the effect of core orbital relaxation in first-order relativistic calculationsBLOMBERG, M. R. A; WAHLGREN, U.Chemical physics letters. 1988, Vol 145, Num 5, pp 393-398, issn 0009-2614Article