NOTE ON OPEN SHELL RESTRICTED SCF CALCULATIONS FOR ROTATION BARRIERS ABOUT C-C DOUBLE BONDS: ETHYLENE AND ALLENE.STAEMMLER V.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 45; NO 2; PP. 89-94; BIBL. 24 REF.Article

AB INITIO CALCULATION OF THE POTENTIAL ENERGY SURFACE OF THE SYSTEM N₂LI⁺.STAEMMLER V.1975; CHEM. PHYS.; NETHERL.; DA. 1975; VOL. 7; NO 1; PP. 17-29; BIBL. 39 REF.Article

AB INITIO CALCULATION OF THE LOWEST SINGLET AND TRIPLET STATES IN CH₂, CHF, CF₂ AND CHCH₃.STAEMMLER V.1974; THEOR. CHIM. ACTA; ALLEM.; DA. 1974; VOL. 35; NO 4; PP. 309-327; BIBL. 1 P.Article

CEPA CALCULATIONS ON OPEN-SHELL MOLECULES. V: THE VIBRATION FREQUENCIES OF SF AND SCLSTAEMMLER V.1982; THEORETICA CHIMICA ACTA; ISSN 0040-5744; DEU; DA. 1982; VOL. 62; NO 1; PP. 69-80; BIBL. 39 REF.Article

Ab initio calculation of the vertical excitation energies of small helium cluster ionsSTAEMMLER, V.Zeitschrift für Physik. D, atoms, molecules and clusters. 1992, Vol 22, Num 4, pp 741-745, issn 0178-7683Article

Ab initio study of small He cluster ions He_n⁺, n=2, 3, 4, 5, and low-lying Rydberg states of He₄STAEMMLER, V.Zeitschrift für Physik. D, atoms, molecules and clusters. 1990, Vol 16, Num 3, pp 219-227, issn 0178-7683Article

CEPA CALCULATIONS ON OPEN-SHELL MOLECULES. I: OUTLINE OF THE METHODSTAEMMLER V; JAQUET R.1981; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1981; VOL. 59; NO 5; PP. 487-500; BIBL. 36 REF.Article

AB INITIO CALCULATIONS OF THE POTENTIAL ENERGY SURFACE OF THE REACTION OF A SINGLET METHYLENE WITH THE HYDROGEN MOLECULEKOLLMAR H; STAEMMLER V.1979; THEOR. CHIM. ACTA; DEU; DA. 1979; VOL. 51; NO 3; PP. 207-217; BIBL. 30 REF.Article

A THEORETICAL STUDY OF THE STRUCTURE OF CYCLOBUTADIENE.KOLLMAR H; STAEMMLER V.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 11; PP. 3583-3587; BIBL. 18 REF.Article

CEPA calculations on open-shell molecules. IX: Vertical excitation energies of hydroxylamine and hydrazineSTAEMMLER, V.Acta physica Polonica. A. 1988, Vol 74, Num 2, pp 331-339, issn 0587-4246Article

CEPA calculations on open-shell molecules. VI: The first ionization potential of HCOSTAEMMLER, V.Theoretica chimica acta. 1983, Vol 64, Num 3, pp 205-215, issn 0040-5744Article

CEPA CALCULATIONS OF POTENTIAL ENERGY SURFACES FOR OPEN SHELL SYSTEMS. II: THE REACTION OF C⁺ IONS WITH MOLECULAR HYDROGENJAQUET R; STAEMMLER V.1982; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1982; VOL. 68; NO 3; PP. 479-489; BIBL. 49 REF.Article

ON THE STRUCTURE OF CYCLOBUTADIENE. THEORETICAL DETERMINATION OF ITS INFRARED SPECTRUM.KOLLMAR H; STAEMMLER V.1978; J. AMER. CHEM. SOC.; USA; DA. 1978; VOL. 100; NO 13; PP. 4304-4305; BIBL. 14 REF.Article

POTENTIAL ENERGY CURVE OF ¹SIGMA ⁺LI⁺/HE.HARIHARAN PC; STAEMMLER V.1976; CHEM. PHYS.; NETHERL.; DA. 1976; VOL. 15; NO 3; PP. 409-414; BIBL. 26 REF.Article

VIOLATION OF HUND'S RULE BY SPIN POLARIZATION IN MOLECULES.KOLLMAR H; STAEMMLER V.1978; THEOR. CHIM. ACTA; DEU; DA. 1978; VOL. 48; NO 3; PP. 223-239; BIBL. 34 REF.Article

APPLICATION OF THE INDEPENDENT ELECTRON PAIR APPROACH TO THE CALCULATION OF EXCITATION ENERGIES, IONIZATION POTENTIALS AND ELECTRON AFFINITIES OF FIRST ROW ATOMS.STAEMMLER V; JUNGEN M.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 38; NO 4; PP. 303-309; BIBL. 1 P. 1/2Article

CEPA CALCULATIONS ON OPEN-SHELL MOLECULES. III: POTENTIAL CURVES FOR THE SIX LOWEST EXCITED STATES OF HE₂ IN THE VICINITY OF THEIR EQUILIBRIUM DISTANCESWASILEWSKI J; STAEMMLER V; JAQUET R et al.1981; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1981; VOL. 59; NO 5; PP. 517-526; BIBL. 34 REF.Article

CEPA CALCULATIONS ON OPEN-SHELL MOLECULES. IV: ELECTRON CORRELATION EFFECTS IN B₁ RYDBERG STATES OF H₂OSTAEMMLER V; JAQUET R; JUNGEN M et al.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 74; NO 2; PP. 1285-1292; BIBL. 28 REF.Article

AB INITIO STUDY, INCLUDING ELECTRON CORRELATION, OF THE ELECTRONIC STRUCTURES, THE DIPOLE MOMENTS, THE STATIC POLARIZABILITIES AND OF THE HARMONIC FORCE FIELDS OF H₂CO, H₂CS, H₂SIOJAQUET R; KUTZELNIGG W; STAEMMLER V et al.1980; THEOR. CHIM. ACTA; DEU; DA. 1980; VOL. 54; NO 3; PP. 205-227; BIBL. 62 REF.Article

Theoretical study of the lowest potential energy surfaces for the reaction O(³P) + HBr(X¹Σ⁺) → OH(X²Π) + Br(²P)URBAN, J; STAEMMLER, V.Chemical physics. 1993, Vol 178, Num 1-3, pp 279-286, issn 0301-0104Article

CASSCF and CEPA calculations for the photodissociation of HN₃. II, Photodissociation into N₂ and NH on the lowest ¹A surface of HN₃MEIER, U; STAEMMLER, V.Journal of physical chemistry (1952). 1991, Vol 95, Num 16, pp 6111-6117, issn 0022-3654Article

A practical double-configuration (DC) SCF algorithm based on a complete set of generalized Brillouin gonditionsWASILEWSKI, J; STAEMMLER, V.Acta physica Polonica. A. 1988, Vol 74, Num 2, pp 355-363, issn 0587-4246Article

CEPA Calculations of potential energy surfaces for open-shell systems. V: The O₂-He van der Waals potentialJAQUET, R; STAEMMLER, V.Chemical physics. 1986, Vol 101, Num 2, pp 243-257, issn 0301-0104Article

Rydberg states of H₄JUNGEN, M; STAEMMLER, V.Chemical physics letters. 1983, Vol 103, Num 3, pp 191-195, issn 0009-2614Article

CEPA calculations of potential energy surfaces for open-shell systems. VII: The 1³A' and 2³A″ states of NH (A³Π)-HeJONAS, R; STAEMMLER, V.Zeitschrift für Physik. D, atoms, molecules and clusters. 1989, Vol 14, Num 2, pp 143-148, issn 0178-7683, 6 p.Article