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THE OPTICAL ACTIVITY OF THE THREE-MEMBERED RING: OXIRANES, AZIRIDINES, DIAZIRIDINES, AND OXAZIRIDINESRAUK A.1981; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1981; VOL. 103; NO 5; PP. 1023-1030; BIBL. DISSEM.Article

A THEORETICAL STUDY OF THE ETHYLENE-METAL BOND IN COMPLEXES BETWEEN CU+, AG+, AU+, PT0, OR PT2+ AND ETHYLENE, BASED ON THE HARTREE-FOCK-SLATER TRANSITION-STATE METHODZIEGLER T; RAUK A.1979; INORG. CHEM.; USA; DA. 1979; VOL. 18; NO 6; PP. 1558-1565; BIBL. 23 REF.Article

Chiroptical properties of disulfides: ab initio studies of dihydrogen disulfide and dimethyl disulfideRAUK, A.Journal of the American Chemical Society. 1984, Vol 106, Num 22, pp 6517-6524, issn 0002-7863Article

THE EQUILIBRIUM GEOMETRY OF METHYL CARBAMATEKYDD RA; RAUK A.1981; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1981; VOL. 77; NO 3-4; PP. 227-238; BIBL. 24 REF.Article

ON THE CALCULATION OF BONDING ENERGIES BY THE HARTREE FOCK SLATER METHOD. I. THE TRANSITION STATE METHOD.ZIEGLER T; RAUK A.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 46; NO 1; PP. 1-10; BIBL. 20 REF.Article

CO, CS, N2, PF3, AND CNCH3 AS SIGMA DONORS AND PI ACCEPTORS. A THEORETICAL STUDY BY THE HARTREE-FOCK-SLATER TRANSITION-STATE METHODZIEGLER T; RAUK A.1979; INORG. CHEM.; USA; DA. 1979; VOL. 18; NO 7; PP. 1755-1759; BIBL. 28 REF.Article

ON THE CALCULATION OF MULTIPLET ENERGIES BY THE HARTREE-FOCK-SLATER METHOD.ZIEGLER T; RAUK A.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 43; NO 3; PP. 261-271; BIBL. 16 REF.Article

A THEORETICAL STUDY OF THE CONFORMATIONAL CHANGES IN HYDRAZINE.JARVIE JO; RAUK A.1974; CANAD. J. CHEM.; CANADA; DA. 1974; VOL. 52; NO 15; PP. 2785-2791; ABS. FR.; BIBL. 26 REF.Article

THE ELECTRONIC STRUCTURE AND OPTICAL ACTIVITY OF CONJUGATED DIENES: 1,3-BUTADIENE AND ALPHA - AND BETA -PHELLANDRENERAUK A; PEOPLES HA.1980; J. COMPUT. CHEM.; USA; DA. 1980; VOL. 1; NO 3; PP. 240-256; BIBL. 51 REF.Article

THE COMPUTATION OF OSCILLATOR-STRENGTHS AND OPTICAL ROTATORY STRENGTHS FROM MOLECULAR WAVEFUNCTIONS. THE ELECTRONIC STATES OF H2O, CO, HCN, H2O2, CH2O AND C2H4.RAUK A; BARRIEL JM.1977; CHEM. PHYS.; NETHERL.; DA. 1977; VOL. 25; NO 3; PP. 409-424; BIBL. 1 P. 1/2Article

A THEORETICAL STUDY OF THE CURTUIS REARRANGEMENT. THE ELECTRONIC STRUCTURES AND INTERCONVERSIONS OF THE CHNO SPECIES.RAUK A; ALEWOOD PF.1977; CANAD. J. CHEM.; CANADA; DA. 1977; VOL. 55; NO 9; PP. 1498-1510; ABS. FR.; BIBL. 46 REF.Article

ELECTRONIC STRUCTURE OF FEO42-, RUO4, RUO4-, RUO42- AND OSO4 BY THE HFS-DVM METHOD.RAUK A; ZIEGLER T; ELLIS DE et al.1974; THEOR. CHIM. ACTA; ALLEM.; DA. 1974; VOL. 34; NO 1; PP. 49-59; BIBL. 1 P.Article

MAGNETIC NON-EQUIVALENCE OF FLUORINE ATOMS OF A TRIFLUOROMETHYL GROUPKHAN MA; TAVARES DF; RAUK A et al.1982; CAN. J. CHEM.; ISSN 0008-4042; CAN; DA. 1982; VOL. 60; NO 19; PP. 2451-2455; ABS. FRE; BIBL. 29 REF.Article

THE EFFECT OF BOND FUNCTION POLARIZATION ON THE L.C.A.O.-M.O.-S.C.F. CALCULATION OF BOND ANGLES AND ENERGY BARRIERS.JARVIE JO; RAUK A; EDMISTON C et al.1974; CANAD. J. CHEM.; CANADA; DA. 1974; VOL. 52; NO 15; PP. 2778-2784; ABS. FR.; BIBL. 33 REF.Article

SEMIEMPIRICAL CALCULATION OF BARRIERS TO PYRAMIDAL INVERSION. EXTENSION TO THE THIRD ROW OF THE PERIODIC TABLE.ANDOSE JD; RAUK A; MISLOW K et al.1974; J. AMER. CHEM. SOC.; U.S.A.; DA. 1974; VOL. 96; NO 22; PP. 6904-6907; BIBL. 38 REF.Article

EXCITED STATES AND OPTICAL ACTIVITY OF ALLENES. ALLENE,1,1-DIMETHYLALLENE, AND 1,2-CYCLONONADIENERAUK A; DRAKE AF; MASON SF et al.1979; J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 9; PP. 2284-2289; BIBL. 41 REF.Article

THE ELECTRONIC STRUCTURES OF TETRAHEDRAL OXO-COMPLEXES. THE NATURE OF THE "CHARGE TRANSFER" TRANSITIONS.ZIEGLER T; RAUK A; BAERENDS EJ et al.1976; CHEM. PHYS.; NETHERL.; DA. 1976; VOL. 16; NO 2; PP. 209-217; BIBL. 25 REF.Article

Electron capture by HCl trimers : an ab initio studyRAUK, A; ARMSTRONG, D. A.The European physical journal. D, Atomic, molecular and optical physics (Print). 2005, Vol 35, Num 2, pp 217-224, issn 1434-6060, 8 p.Article

Calculated infrared absorption and vibrational circular dichroism intensities of oxirane and its deuterated analoguesDUTLER, R; RAUK, A.Journal of the American Chemical Society. 1989, Vol 111, Num 18, pp 6957-6966, issn 0002-7863, 10 p.Article

Vibrational circular dichroism intensities : Ab initio vibronic coupling theory using the distributed origin gaugeDANYA YANG; RAUK, A.The Journal of chemical physics. 1992, Vol 97, Num 9, pp 6517-6534, issn 0021-9606Article

The ground and excited states of hydrogen sulfide, methanethiol, and hydrogen selenideRAUK, A; COLLINS, S.Journal of molecular spectroscopy (Print). 1984, Vol 105, Num 2, pp 438-452, issn 0022-2852Article

Sum rules for atomic polar and axial tensors from vibronic coupling theoryDANYA YANG; RAUK, A.Chemical physics. 1993, Vol 178, Num 1-3, pp 147-154, issn 0301-0104Article

MU -HYDRIDO BRIDGING BETWEEN SECONDARY AND TERTIARY CARBOCATIONIC ENDS AND THE ANALOGY TO UNSYMMETRICAL ALLYL CATIONSKIRCHEN RP; OKAZAWA N; RANGANAYAKULU K et al.1981; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1981; VOL. 103; NO 3; PP. 597-604; BIBL. 46 REF.Article

Vibrational circular dichroism and infrared spectra of 2-methyloxirane and trans-2,3-dimethyloxirane : ab initio vibronic coupling theory with the 6-31G* (0.3) basis setRAUK, A; YANG, D.Journal of physical chemistry (1952). 1992, Vol 96, Num 1, pp 437-446, issn 0022-3654Article

DIMETHYLCYCLODECYL CATIONS. EVIDENCE FOR MU -HYDRIDO BRIDGINGKIRCHEN RP; RANGANAYAKULU K; RAUK A et al.1981; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1981; VOL. 103; NO 3; PP. 588-596; BIBL. 49 REF.Article

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