Find Research outputs

1991

On the Origin of π‐Facial Diastereoselectivity in Addition Reactions of Cyclohexane‐Based Systems

Frenking, G., Köhler, K. F. & Reetz, M. T., Sep 1991, In: Angewandte Chemie - International Edition. 30, 9, p. 1146-1149 4 p.

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

98 Scopus citations

On the origin of π-facial diastereoselectivity in nucleophilic additions to chiral carbonyl compounds. 1. Rotational profiles of propionaldehyde 1, chloroacetaldehyde 2, and 2-chloropropionaldehyde 3.

Frenking, G., Köhler, K. F. & Reetz, M. T., 4 Nov 1991, In: Tetrahedron. 47, 43, p. 8991-9004 14 p.

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

44 Scopus citations

On the origin of π-facial diastereoselectivity in nucleophilic additions to chiral carbonyl compounds. 2. Calculated transition state structures for the addition of nucleophiles to propionaldehyde 1, chloroacetyldehyde 2, and 2-chloropropionaldehyde 3.

Frenking, G., Köhler, K. F. & Reetz, M. T., 4 Nov 1991, In: Tetrahedron. 47, 43, p. 9005-9018 14 p.

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

56 Scopus citations

Röntgenstrukturuntersuchung von α‐(Trimethylsilyl)benzyllithium·Tetramethylendiamin [C₆H₅CH(SiMe₃)Li·TMEDA] und α‐(Phenylthio)‐benzyllithium·3 Tetrahydrofuran [C₆H₅CH(SPh)Li·(THF)₃] – zwei zentral‐chirale Benzyllithium‐Verbindungen

Zarges, W., Marsch, M., Harms, K., Frenking, G., Boche, G. & Koch, W., 1991, In: Chemische Berichte. 124, 3, p. 543-549 7 p.

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

80 Scopus citations

Se₄N₂, a Novel Selenium Nitride

Dehnicke, K., Schmock, F., Köhler, K. F. & Frenking, G., May 1991, In: Angewandte Chemie - International Edition. 30, 5, p. 577-578 2 p.

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

21 Scopus citations

Study of the Y-TZP toughness by an indentation method

Glandus, J. C., Rouxel, T. & Tai, Q., 1991, In: Ceramics International. 17, 2, p. 129-135 7 p.

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

35 Scopus citations

Substituted Ethylene Dications: Planar or Perpendicular?

Frenking, G., 1991, In: Journal of the American Chemical Society. 113, 7, p. 2476-2481 6 p.

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

27 Scopus citations

The Conformational Behaviour of 10‐Substituted Spiro[4.5]decanes

Jens Wolff, J., Frenking, G. & Harms, K., 1991, In: Chemische Berichte. 124, 3, p. 551-561 11 p.

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

18 Scopus citations

Theoretical challenge to the X-ray structure determination of dichloronitronium ion ("inorganic phosgene") Cl₂NO⁺

Brumm, M., Frenking, G. & Koch, W., 2 Aug 1991, In: Chemical Physics Letters. 182, 3-4, p. 310-314 5 p.

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

5 Scopus citations

The Structure of the Trimethylenemethane Dianion and the Question of Y‐Aromaticity

Gobbi, A., MacDougall, P. J. & Frenking, G., Aug 1991, In: Angewandte Chemie - International Edition. 30, 8, p. 1001-1003 3 p.

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

40 Scopus citations

Vapor-liquid equilibria of five binary systems containing R-22

Xu, N., Yao, J., Wang, Y., Shi, J. & Lu, B. C. Y., 10 Dec 1991, In: Fluid Phase Equilibria. 69, C, p. 261-270 10 p.

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

20 Scopus citations

1992

Adsorption characteristics of methanol water in ethanol solution on NaA zeolite

Liu, X. & Yao, H., Jun 1992, In: Gao Xiao Hua Xue Gong Cheng Xue Bao/Journal of Chemical Engineering of Chinese Universities. 6, 2, p. 153-159 7 p.

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

A new method of enhancing cement-aggregate interfaces, I. Ideal aggregate and its effects on interfacial microstructures

Yang, S., Zhongzi, X., Ping, X. & Mingshu, T., Jul 1992, In: Cement and Concrete Research. 22, 4, p. 612-620 9 p.

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

12 Scopus citations

A new method of enhancing cement-aggregate interfaces II. Mechanical properties and sulphate attack resistances of mortars

Yang, S., Zhongzi, X., Ping, X. & Mingshu, T., Sep 1992, In: Cement and Concrete Research. 22, 5, p. 769-773 5 p.

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

7 Scopus citations

Comment on "Evaluation of Y- versus linear-delocalization and the role of charge alternation in trimethylenemethane dianion and butadiene dianions"

Frenking, G. & Gobbi, A., 11 Sep 1992, In: Chemical Physics Letters. 197, 3, p. 335-337 3 p.

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

7 Scopus citations

Cyclische C₆S₆‐Isomere — Matrixspektroskopische und theoretische Untersuchungen

Maier, G., Schrot, J., Reisenauer, H. P., Frenking, G. & Jonas, V., Jan 1992, In: Chemische Berichte. 125, 1, p. 265-269 5 p.

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

18 Scopus citations

High pressure vapor liquid equilibria at 293 K for systems containing nitrogen, methane and carbon dioxide

Xu, N., Dong, J., Wang, Y. & Shi, J., 31 Dec 1992, In: Fluid Phase Equilibria. 81, C, p. 175-186 12 p.

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

81 Scopus citations

Large anisotropy on electromechanical properties of rare-earth and alkaline-earth oxides complex modified PbTiO₃ ceramics

Wang, H., Xue, W. R., Lu, P. W., Shen, D. W., Zhang, Q. T. & Zhao, M. Y., 1992, ISAF 1992 - Proceedings of the 8th IEEE International Symposium on Applications of Ferroelectrics. Safari, A., Liu, M., Kingon, A. & Haertling, G. (eds.). Institute of Electrical and Electronics Engineers Inc., p. 548-550 3 p. 300569. (ISAF 1992 - Proceedings of the 8th IEEE International Symposium on Applications of Ferroelectrics).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

1 Scopus citations

Large discrepancies between the theoretically predicted and experimentally observed vibrational frequencies of ONCl⁺₂ and ONClF⁺

Brumm, M., Frenking, G., Breidung, J. & Thiel, W., 11 Sep 1992, In: Chemical Physics Letters. 197, 3, p. 330-334 5 p.

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

5 Scopus citations

On the Structure and Existence of CrF₆

Neuhaus, A., Frenking, G., Huber, C. & Gauss, J., 1 Dec 1992, In: Inorganic Chemistry. 31, 26, p. 5355-5356 2 p.

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

28 Scopus citations

Phloretin keto-enol tautomerism and inhibition of glucose transport in human erythrocytes (including effects of phloretin on anion transport)

Fuhrmann, G. F., Dernedde, S. & Frenking, G., 21 Sep 1992, In: Biochimica et Biophysica Acta - Biomembranes. 1110, 1, p. 105-111 7 p.

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

22 Scopus citations

Prismene: A Theoretically Predicted Target for Experimental Studies

Jonas, V. & Frenking, G., 1 Nov 1992, In: Journal of Organic Chemistry. 57, 23, p. 6085-6088 4 p.

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

10 Scopus citations

Se₂NCl₃ and [Se₂NCl₂]⁺ [GaCl₄]⁻, Chloride Nitrides of Trivalent Selenium

Wollert, R., Höllwarth, A., Frenking, G., Fenske, D., Goesmann, H. & Dehnicke, K., Sep 1992, In: Angewandte Chemie - International Edition. 31, 9, p. 1251-1253 3 p.

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

17 Scopus citations

Sol-Gel process for the preparation of ultrafine PbTiO₃ powders

Zhang, Q., Zhang, Z., Shen, D., Xue, W., Wang, H. & Zao, M., 1992, ISAF 1992 - Proceedings of the 8th IEEE International Symposium on Applications of Ferroelectrics. Safari, A., Liu, M., Kingon, A. & Haertling, G. (eds.). Institute of Electrical and Electronics Engineers Inc., p. 551-553 3 p. 300568. (ISAF 1992 - Proceedings of the 8th IEEE International Symposium on Applications of Ferroelectrics).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Sol-Gel techniques for the preparation of ultrafine BaTiO₃ powders

Zhang, Q., Shen, D., Wang, H., Xue, W. & Zhao, M., 1992, ISAF 1992 - Proceedings of the 8th IEEE International Symposium on Applications of Ferroelectrics. Safari, A., Liu, M., Kingon, A. & Haertling, G. (eds.). Institute of Electrical and Electronics Engineers Inc., p. 63-65 3 p. 300623. (ISAF 1992 - Proceedings of the 8th IEEE International Symposium on Applications of Ferroelectrics).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Structures and energies of the lowest lying singlet and triplet states of C₃H₂ and C₃F₂. A theoretical study

Jonas, V., Böhme, M. & Frenking, G., 1992, In: Journal of Physical Chemistry. 96, 4, p. 1640-1648 9 p.

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

81 Scopus citations

Surprisingly high accuracy of ECP methods for predicting Fe-C bond dissociation energies of FeCH₃⁺, FeCH₂ ⁺ and FeCH⁺

Veldkamp, A. & Frenking, G., 1992, In: Chemical Communications. 2, p. 118-120 3 p.

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

10 Scopus citations

Tetrakis(triphenylphosphaniminato)tantalonium‐hexachlorotantalat, [Ta(NPPh₃)₄]TaCl₆. Synthese, IR‐Spektrum, Kristallstruktur und Ab‐initio‐Rechnungen am [Ta(NPH₃)₄]⁺‐Ion

Nußhär, D., Weller, F., Neuhaus, A., Frenking, G. & Dehnicke, K., Sep 1992, In: Zeitschrift fur Anorganische und Allgemeine Chemie. 615, 9, p. 86-92 7 p.

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

22 Scopus citations

The geometry of TiH^2-₆ and VH^-₆

Jonas, V., Frenking, G. & Gauss, J., 19 Jun 1992, In: Chemical Physics Letters. 194, 1-2, p. 109-117 9 p.

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

27 Scopus citations

Theoretical studies of organometallic compounds. I. All electron and pseudopotential calculations of Ti(CH₃)_nCl_{4 − n} (n = 0–4)

Jonas, V., Frenking, G. & Reetz, M. T., Oct 1992, In: Journal of Computational Chemistry. 13, 8, p. 919-934 16 p.

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

84 Scopus citations

Theoretical studies of organometallic compounds. II. All electron and pseudopotential calculations of M(CH₃)_nCl_{4 − n} (M = C, Si, Ge, Sn, Pb; n = 0–4)

Jonas, V., Frenking, G. & Reetz, M. T., Oct 1992, In: Journal of Computational Chemistry. 13, 8, p. 935-943 9 p.

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

21 Scopus citations

Theoretical studies of organometallic compounds. III. Structures and bond energies of FeCH_n and FeCH n+ (n = 1, 2, 3)

Veldkamp, A. & Frenking, G., Dec 1992, In: Journal of Computational Chemistry. 13, 10, p. 1184-1198 15 p.

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

22 Scopus citations

The structure of the 2-methylacrolein boron trifluoride complex in the crystalline phase and in solution

Corey, E. J., Loh, T. P., Sarshar, S. & Azimioara, M., 10 Nov 1992, In: Tetrahedron Letters. 33, 46, p. 6945-6948 4 p.

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

64 Scopus citations

1993

[tert‐Butylcyanide · Lithium Bis(trimethylsilyl)amide]₂, a Model of the Intermediate RCN. MR′ Complex Formed in Reactions of Cyanides RCN with Organometallic Compounds R′M

Boche, G., Langlotz, I., Marsch, M., Harms, K. & Frenking, G., Aug 1993, In: Angewandte Chemie - International Edition. 32, 8, p. 1171-1173 3 p.

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

38 Scopus citations

Alterations of bile acid composition in gallstones, bile, and liver of patients with hepatolithiasis, and their etiological significance

Shoda, J., Tanaka, N., He, B. F., Matsuzaki, Y., Osuga, T. & Miyazaki, H., Nov 1993, In: Digestive Diseases and Sciences. 38, 11, p. 2130-2141 12 p.

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

30 Scopus citations

An a.c. impedance spectroscopy study of micro-cracking in cement-based composites during compressive loading

Gu, P., Xu, Z., Xie, P. & Beaudoin, J. J., May 1993, In: Cement and Concrete Research. 23, 3, p. 675-682 8 p.

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

36 Scopus citations

An ideal structural model for very low porosity cementitious systems

Xu, Z., Tang, M. & Beaudoin, J. J., Mar 1993, In: Cement and Concrete Research. 23, 2, p. 377-386 10 p.

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

10 Scopus citations

Application of A.C. impedance techniques in studies of porous cementitious materials. (I): Influence of solid phase and pore solution on high frequency resistance

Gu, P., Xu, Z., Xie, P. & Beaudoin, J. J., May 1993, In: Cement and Concrete Research. 23, 3, p. 531-540 10 p.

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

104 Scopus citations

Application of A.C. impedance techniques in studies of porous cementitious materials. (II): Relationship between ACIS Behavior and the Porous Microstructure

Xu, Z., Gu, P., Xie, P. & Beaudoin, J. J., Jul 1993, In: Cement and Concrete Research. 23, 4, p. 853-862 10 p.

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

84 Scopus citations

Application of A.C. impedance techniques in studies of porous cementitious materials (III): ACIS behavior of very low porosity cementitious systems

Xu, Z., Gu, P., Xie, P. & Beaudoin, J. J., Sep 1993, In: Cement and Concrete Research. 23, 5, p. 1007-1015 9 p.

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

43 Scopus citations

A rationalized a.c. impedence model for microstructural characterization of hydrating cement systems

Xie, P., Gu, P., Xu, Z. & Beaudoin, J. J., Mar 1993, In: Cement and Concrete Research. 23, 2, p. 359-367 9 p.

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

164 Scopus citations

A set of d-polarization functions for pseudo-potential basis sets of the main group elements AlBi and f-type polarization functions for Zn, Cd, Hg

Höllwarth, A., Böhme, M., Dapprich, S., Ehlers, A. W., Gobbi, A., Jonas, V., Köhler, K. F., Stegmann, R., Veldkamp, A. & Frenking, G., 11 Jun 1993, In: Chemical Physics Letters. 208, 3-4, p. 237-240 4 p.

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

892 Scopus citations

A set of f-polarization functions for pseudo-potential basis sets of the transition metals ScCu, YAg and LaAu

Ehlers, A. W., Böhme, M., Dapprich, S., Gobbi, A., Höllwarth, A., Jonas, V., Köhler, K. F., Stegmann, R., Veldkamp, A. & Frenking, G., 4 Jun 1993, In: Chemical Physics Letters. 208, 1-2, p. 111-114 4 p.

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

2060 Scopus citations

Catalytic enantioselective diels-alder addition to furan provides a direct synthetic route to many chiral natural products

Corey, E. J. & Loh, T. P., 18 Jun 1993, In: Tetrahedron Letters. 34, 25, p. 3979-3982 4 p.

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

158 Scopus citations

Das Methylviologen-Radikalkation. Synthese, Kristallstruktur und ab initio Rechnungen von N,N′-Dimethyl-4,4′-bipyridinium-chlorid-dihydrat

Translated title of the contribution: The Methylviologen Radical Cation. Synthesis, Crystal Structure and ab initio Calculations of N,N′-Dimethyl-4,4′-bipyridinium Chloride DihydrateWolkers, H., Stegmann, R., Frenking, G., Dehnicke, K., Fenske, D. & Baum, G., 1 Oct 1993, In: Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences. 48, 10, p. 1341-1347 7 p.

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

Open Access

10 Scopus citations

Deterioration of concrete structures due to alkali-dolomite reaction in China

Deng, M., Han, S. F., Lu, Y. N., Lan, X. H., Hu, Y. L. & Tang, M. S., Sep 1993, In: Cement and Concrete Research. 23, 5, p. 1040-1046 7 p.

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

22 Scopus citations

Effect of excessive PbO and PO partial pressure on the properties and microstructures of PbTiO-based piezoelectric ceramics

Wang, H., Xue, W., Lu, P., Shen, D. & Zhang, Q., Dec 1993, In: Cailiao Gongcheng/Journal of Materials Engineering. 24, 6, p. 533-536 4 p.

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

Excess enthalpies and excess volumes of methanol n-decane mixtures at 298.15 K

Zhu, S., Shen, S., Benson, G. C. & Lu, B. C. Y., 26 Jul 1993, In: Thermochimica Acta. 222, 1, p. 15-20 6 p.

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

2 Scopus citations

Excess enthalpies of (ethanol + methyl tert-butyl ether + a C₆-hydrocarbon) ternary systems at 25°C

Zhu, S., Shen, S., Benson, G. C. & Lu, B. C. Y., Nov 1993, In: Journal of Solution Chemistry. 22, 11, p. 1073-1081 9 p.

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

11 Scopus citations

Excess enthalpies of (ethanol or propan-1-ol + cyclohexane + decane) at the temperature 298.15 K

Zhu, S., Shen, S., Benson, G. C. & Lu, B. C. Y., Jul 1993, In: Journal of Chemical Thermodynamics. 25, 7, p. 909-917 9 p.

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

19 Scopus citations

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