Find Research outputs

1993

Experimental determination and simulation of flash evaporation for carbon dioxide. Reservoir gas at normal temperatures

Dong, J., Xu, N., Wang, Y. & Shi, J., Dec 1993, In: Gao Xiao Hua Xue Gong Cheng Xue Bao/Journal of Chemical Engineering of Chinese Universities. 7, 4, p. 304-308 5 p.

Research output: Contribution to journal › Article › peer-review

Hepatic cholesterol and bile acid synthesis in Japanese patients with cholesterol gallstones

Honda, A., Yoshida, T., Tanaka, N., Matsuzaki, Y., He, B., Osuga, T., Kobayashi, N. & Ozawa, K., Jun 1993, In: Gastroenterologia Japonica. 28, 3, p. 406-414 9 p.

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Impedance studies of wollastonite micro-fibre-reinforced cement paste systems

Gu, P., Xie, P., Low, N. M. P., Xu, Z. & Beaudoin, J. J., 1 Apr 1993, In: Advances in Cement Research. 5, 18, p. 87-92 6 p.

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Influence of various hydraulic binders on performance of very low porosity cementitious systems

Xu, Z., Deng, Y., Wu, X., Tang, M. & Beaudoin, J. J., Mar 1993, In: Cement and Concrete Research. 23, 2, p. 462-470 9 p.

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Investigations on the loss mechanisms and the loss kinetics of molybdenum trioxide on alumina and silica

Dazhuang, L., Lixiong, Z., Biguang, Y. & Jiaofeng, L., 15 Nov 1993, In: Applied Catalysis A: General. 105, 2, p. 185-194 10 p.

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Kinetic study on hydration of alkali-activated slag

Huanhai, Z., Xuequan, W., Zhongzi, X. & Mingshu, T., Nov 1993, In: Cement and Concrete Research. 23, 6, p. 1253-1258 6 p.

Research output: Contribution to journal › Article › peer-review

142 Scopus citations

Lactol-ene reaction: An efficient access to the synthesis of 22R,25-dihydroxy steroid side chains

Mikami, K., Kishino, H., Matsueda, H. & Loh, T. P., Jul 1993, In: Synlett. 1993, 7, p. 497-498 2 p.

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Measures to inhibit alkali-dolomite reaction

Min, D. & Mingshu, T., Sep 1993, In: Cement and Concrete Research. 23, 5, p. 1115-1120 6 p.

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Mechanism of dedolomitization and expansion of dolomitic rocks

Min, D. & Mingshu, T., Nov 1993, In: Cement and Concrete Research. 23, 6, p. 1397-1408 12 p.

Research output: Contribution to journal › Article › peer-review

53 Scopus citations

Migration of alkali ions in mortar due to several mechanisms

Xu, Z. & Hooton, R. D., Jul 1993, In: Cement and Concrete Research. 23, 4, p. 951-961 11 p.

Research output: Contribution to journal › Article › peer-review

21 Scopus citations

Molecular structure and conformational composition of 2-chloropropanal, a gas-phase electron-diffraction and ab initio investigation

Aarset, K., Hagen, K., Frenking, G. & Wehrsig, A., 1993, In: Journal of Physical Chemistry. 97, 41, p. 10670-10673 4 p.

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Novel sterol 7α-hydroxylase(S) active towards not cholesterol but side-chain oxygenated steroids in liver microsomes

Shoda, J., Tanaka, N., He, B. F., Honda, A., Yoshida, T., Matsuzaki, Y. & Osuga, T., Jun 1993, In: Gastroenterologia Japonica. 28, 3, p. 438 1 p.

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

On the origin of π-facial diastereoselectivity in nucleophilic additions to chiral carbonyl compounds 3. Rotational profiles of 2-methoxypropanal and 2-N,N-dimethylaminopropanal.

Frenking, G., Köhler, K. F. & Reetz, M. T., 7 May 1993, In: Tetrahedron. 49, 19, p. 3971-3982 12 p.

Research output: Contribution to journal › Article › peer-review

26 Scopus citations

On the origin of π-facial diastereoselectivity in nucleophilic additions to chiral carbonyl compounds 4. Calculated transition state structures for the addition of nucleophiles to 2-methoxypropanal and 2-N,N-dimethyl-aminopropanal.

Frenking, G., Köhler, K. F. & Reetz, M. T., 7 May 1993, In: Tetrahedron. 49, 19, p. 3983-3994 12 p.

Research output: Contribution to journal › Article › peer-review

35 Scopus citations

Quantum‐Mechanical ab initio Investigation of the Transition‐Metal Compounds OsO₄, OsO₃F₂, OsO₂F₄, OsOF₆, and OsF₈

Veldkamp, A. & Frenking, G., Jun 1993, In: Chemische Berichte. 126, 6, p. 1325-1330 6 p.

Research output: Contribution to journal › Article › peer-review

33 Scopus citations

Relationships between composition, structure and mechanical properties of very low porosity cementitious systems

Xu, Z., Tang, M. & Beaudoin, J. J., Jan 1993, In: Cement and Concrete Research. 23, 1, p. 187-195 9 p.

Research output: Contribution to journal › Article › peer-review

22 Scopus citations

Simultaneous determination of mevalonate and 7α-hydroxycholesterol in human plasma by gas chromatography-mass spectrometry as indices of cholesterol and bile acid biosynthesis

Yoshida, T., Honda, A., Tanaka, N., Matsuzaki, Y., He, B., Osuga, T., Kobayashi, N., Ozawa, K. & Miyazaki, H., 2 Apr 1993, In: Journal of Chromatography B: Biomedical Sciences and Applications. 613, 2, p. 185-193 9 p.

Research output: Contribution to journal › Article › peer-review

59 Scopus citations

Stereocontrolled Total Synthesis of (+)- and (−)-Epibatidine

Corey, E. J., Loh, T. P., AchyuthaRao, S., Daley, D. C. & Sarshar, S., 1993, In: Journal of Organic Chemistry. 58, 21, p. 5600-5602 3 p.

Research output: Contribution to journal › Article › peer-review

118 Scopus citations

Synthese und Konformationsanalyse von Pyranophanonen und Pyrylophanium‐Verbindungen mit intraannularen Substituenten

Allwohn, J., Brumm, M., Frenking, G., Hornivius, M., Massa, W., Steubert, F. W. & Wocadlo, S., 1993, In: Advanced Synthesis and Catalysis. 335, 6, p. 503-514 12 p.

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

The desorption isotherms of iodine from the catalyst of iodine-activated carbon

Liu, D., Zhao, J., Sung, C. & Zhang, L., 1993, In: Carbon. 31, 1, p. 81-85 5 p.

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

The electronic ground state of the NeAr²⁺ dication. A complete active space SCF/multi-reference CI study

Koch, W., Frenking, G. & Gobbi, A., 19 Feb 1993, In: Chemical Physics Letters. 203, 2-3, p. 205-210 6 p.

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

The keto/enol tautomerism of selenoformamide and telluroformamide

Dapprich, S. & Frenking, G., 9 Apr 1993, In: Chemical Physics Letters. 205, 2-3, p. 337-342 6 p.

Research output: Contribution to journal › Article › peer-review

15 Scopus citations

The low lying electronic states of O₃^-

Koch, W., Frenking, G., Steffen, G., Reinen, D., Jansen, M. & Assenmacher, W., 1993, In: Journal of Chemical Physics. 99, 2, p. 1271-1277 7 p.

Research output: Contribution to journal › Article › peer-review

40 Scopus citations

The molecular structure of phosphabenzene. A theoretically predicted correction to the experimentally determined CC bond lengths

Jonas, V. & Frenking, G., 23 Jul 1993, In: Chemical Physics Letters. 210, 1-3, p. 211-215 5 p.

Research output: Contribution to journal › Article › peer-review

Open Access

24 Scopus citations

Theoretical Studies of Organometallic Compounds. 4. Chelate Complexes of TiCl₄ and CH₃TiCl₃

Jonas, V., Frenking, G. & Reetz, M. T., 1993, In: Organometallics. 12, 6, p. 2111-2120 10 p.

Research output: Contribution to journal › Article › peer-review

48 Scopus citations

Theoretical Studies of Organometallic Compounds. 5. Alkyne and Vinylidene Complexes of Molybdenum and Tungsten in High-Oxidation States

Stegmann, R., Neuhaus, A. & Frenking, G., 1 Dec 1993, In: Journal of the American Chemical Society. 115, 25, p. 11930-11938 9 p.

Research output: Contribution to journal › Article › peer-review

38 Scopus citations

Theoretical Studies of Organometallic Compounds. 6. Structures and Bond Energies of M(CO)_n⁺, MCN, and M(CN)₂⁻ (M = Ag, Au; n = 1–3)

Veldkamp, A. & Frenking, G., 1993, In: Organometallics. 12, 11, p. 4613-4622 10 p.

Research output: Contribution to journal › Article › peer-review

87 Scopus citations

Theoretical studies of the M-CO bond lengths and first dissociation energies of the transition metal hexacarbonyls Cr(CO)₆, Mo(CO) ₆ and W(CO)₆

Ehlers, A. W. & Frenking, G., 1993, In: Chemical Communications. 22, p. 1709-1711 3 p.

Research output: Contribution to journal › Article › peer-review

47 Scopus citations

The singlet-triplet gap of the halonitrenium ions NHX⁺, NX ₂⁺ and the halocarbenes CHX, CX₂ (X = F, Cl, Br, I)

Gobbi, A. & Frenking, G., 1993, In: Chemical Communications. 14, p. 1162-1164 3 p.

Research output: Contribution to journal › Article › peer-review

62 Scopus citations

Use of canonical orbital energy derivatives for closed-shell self-consistent-field wave functions

Yamaguchi, Y., Remington, R. B., Gaw, J. F., Schaefer, H. F. & Frenking, G., 1993, In: Journal of Chemical Physics. 98, 11, p. 8749-8760 12 p.

Research output: Contribution to journal › Article › peer-review

19 Scopus citations

Y-Conjugated Compounds: The Equilibrium Geometries and Electronic Structures of Guanidine, Guanidinium Cation, Urea, and 1,1-Diaminoethylene

Gobbi, A. & Frenking, G., 1 Mar 1993, In: Journal of the American Chemical Society. 115, 6, p. 2362-2372 11 p.

Research output: Contribution to journal › Article › peer-review

218 Scopus citations

1994

Application of the Energy Derivative Analysis Method to the Cis Monobridged Equilibrium Structures Al2H2, Si2H2, Ga2H2, and Ge2H2 and the Comparable Stationary Points of B2H2 and C2H2

Yamaguchi, Y., DeLeeuw, B. J., Richards, C. A., Schaefer, H. F. & Frenking, G., 1 Dec 1994, In: Journal of the American Chemical Society. 116, 26, p. 11922-11930 9 p.

Research output: Contribution to journal › Article › peer-review

40 Scopus citations

A set of d-polarization functions for pseudo-potential basis sets of the main group elements Al-Bi and f-type polarization functions for Zn, Cd, Hg (Chem. Phys. Letters 208 (1993) 237)

Höllwarth, A., Böhme, M., Dapprich, S., Ehlers, A. W., Gobbi, A., Jonas, V., Köhler, K. F., Stegmann, R., Veldkamp, A. & Frenking, G., 22 Jul 1994, In: Chemical Physics Letters. 224, 5-6, p. 603 1 p.

Research output: Contribution to journal › Comment/debate

11 Scopus citations

A unified approach to (22S)- or (22R)-hydroxy steroid side chain: Lewis acid-promoted carbonyl-ene reaction with α-alkoxyaldehydes

Mikami, K., Kishino, H. & Loh, T. P., 1994, In: Chemical Communications. 4, p. 495-496 2 p.

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Canonical orbital energy derivative studies of the C₂H₂ and H₂CO ground state potential energy hypersurfaces

Yamaguchi, Y., Remington, R. B., Gaw, J. F., Schaefer, H. F. & Frenking, G., 15 Feb 1994, In: Chemical Physics. 180, 1, p. 55-70 16 p.

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Comparative Theoretical Study of Lewis Acid-Base Complexes of BH₃, BF₃, BC1₃, AICI3, and SO₂

Jonas, V., Frenking, G. & Reetz, M. T., 1 Sep 1994, In: Journal of the American Chemical Society. 116, 19, p. 8741-8753 13 p.

Research output: Contribution to journal › Article › peer-review

447 Scopus citations

Conformational analysis of 2-chloro-2-fluoroacetaldehyde and calculated transition state structures of nucleophilic addition reactions.

Frenking, G., Köhler, K. F. & Reetz, M. T., 1994, In: Tetrahedron. 50, 38, p. 11197-11204 8 p.

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

Demonstration of the Synthetic Power of Oxazaborolidine-Catalyzed Enantioselective Diels-Alder Reactions by Very Efficient Routes to Cassiol and Gibberellic Acid

Corey, E. J., Guzman-Perez, A. & Loh, T. P., 1 Apr 1994, In: Journal of the American Chemical Society. 116, 8, p. 3611-3612 2 p.

Research output: Contribution to journal › Article › peer-review

118 Scopus citations

Determination of 7α-hydroxy-4-cholesten-3-one level in plasma using isotope-dilution mass spectrometry and monitoring its circadian rhythm in human as an index of bile acid biosynthesis

Yoshida, T., Honda, A., Tanaka, N., Matsuzaki, Y., Shoda, J., He, B., Osuga, T. & Miyazaki, H., 13 May 1994, In: Journal of Chromatography B: Biomedical Sciences and Applications. 655, 2, p. 179-187 9 p.

Research output: Contribution to journal › Article › peer-review

34 Scopus citations

Excess enthalpies of (2,4-dimethyl-3-oxapentane + one or more n-alkanes) at the temperature 298.15 K Part I: Binary mixtures

Zhu, S., Shen, S., Benson, G. C. & Lu, B. C. Y., Apr 1994, In: Journal of Chemical Thermodynamics. 26, 4, p. 415-420 6 p.

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Excess enthalpies of (2,4-dimethyl-3-oxapentane + one or more n-alkanes) at the temperature 298.15 K Part II: Ternary mixtures

Zhu, S., Shen, S., Benson, G. C. & Lu, B. C. Y., Apr 1994, In: Journal of Chemical Thermodynamics. 26, 4, p. 421-427 7 p.

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Excess enthalpies of (ethanol or 1-propanol) + methyl tert-butyl ether + n -octane ternary mixtures at 298.15 K

Zhu, S., Shen, S., Benson, G. C. & Lu, B. C. Y., 15 Mar 1994, In: Fluid Phase Equilibria. 94, C, p. 217-226 10 p.

Research output: Contribution to journal › Article › peer-review

33 Scopus citations

Excess enthalpies of (methyl 1,1-dimethylpropyl ether + an n-alkane) at the temperature 298.15 K

Zhu, S., Shen, S., Benson, G. C. & Lu, B. C. Y., Jan 1994, In: Journal of Chemical Thermodynamics. 26, 1, p. 35-39 5 p.

Research output: Contribution to journal › Article › peer-review

46 Scopus citations

Excess Enthalpies of Methyl 1,1-Dimethylpropyl Ether + a C₆ Hydrocarbon at 298.15 K

Zhu, S., Shen, S., Benson, G. C. & Lu, B. C. Y., 1 Apr 1994, In: Journal of Chemical and Engineering Data. 39, 2, p. 302-303 2 p.

Research output: Contribution to journal › Article › peer-review

23 Scopus citations

Excess molar enthalpies of methyl tert-butyl ether + (cyclohexane or 2,3-dimethylbutane) + n-decane ternary mixtures at 298.15 K

Zhu, S., Shen, S., Benson, G. C. & Lu, B. C. Y., 21 Apr 1994, In: Thermochimica Acta. 235, 2, p. 161-169 9 p.

Research output: Contribution to journal › Article › peer-review

20 Scopus citations

First and second energy derivative analyses for open-shell self-consistent field wavefunctions

Yamaguchi, Y., F. Schaefer Iii, H. & Frenking, G., Jul 1994, In: Molecular Physics. 82, 4, p. 713-733 21 p.

Research output: Contribution to journal › Article › peer-review

Formation and expansion of ettringite crystals

Min, D. & Mingshu, T., 1994, In: Cement and Concrete Research. 24, 1, p. 119-126 8 p.

Research output: Contribution to journal › Article › peer-review

172 Scopus citations

Immobilization of stimulated high level wastes into AASC waste form

Xiaodong, S., Sheng, Y., Xuequan, W., Mingshu, T. & Liji, Y., 1994, In: Cement and Concrete Research. 24, 1, p. 133-138 6 p.

Research output: Contribution to journal › Article › peer-review

27 Scopus citations

Investigations of the mechanisms and kinetics leading to a loss of molybdenum from bismuth molybdate catalysts

Zhang, L., Liu, D., Yang, B. & Zhao, J., 29 Sep 1994, In: Applied Catalysis A: General. 117, 2, p. 163-171 9 p.

Research output: Contribution to journal › Article › peer-review

17 Scopus citations

Mean-lifetime calculations of the metastable doubly charged NeAr2+ rare-gas dimer

Chen, Z., Ben-Itzhak, I., Lin, C. D., Koch, W., Frenking, G., Gertner, I. & Rosner, B., 1994, In: Physical Review A. 49, 5, p. 3472-3478 7 p.

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

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