Research Output 1988 2019

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2005

mu2-eta2-2-tert-Butylethyn-1-yl)(mu2-chloro)bis{{eta2-cyclopentadienyl)dimethylsilane]titanium}

Kooijman, H., Hogenbirk, M., Schat, G., Akkerman, O. S., Bickelhaupt, F. & Spek, A. L., 2005, In : Acta Crystallographica Section E. Structure Reports. E61, p. m1329-m1331 2 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
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Titanium
titanium

Multicomponent synthesis of 2-imidazolines

Bon, RS., van Vliet, B., Sprenkels, N. E., Schmitz, R. F., de Kanter, FJJ., Stevens, C. V., Swart, M., Bickelhaupt, FM., Groen, MB. & Orru, RVA., 29 Apr 2005, In : Journal of Organic Chemistry. 70, 9, p. 3542-3553

Research output: Contribution to JournalArticleAcademicpeer-review

Multicomponent Synthesis of 2-imidazolines

Bon, R. S., Van Vliet, B., Sprenkels, N. E., Schmitz, R. F., De Kanter, F. J. J., Stevens, C. V., Swart, M., Bickelhaupt, F. M., Groen, M. B. & Orru, R. V. A., 2005, In : Journal of Organic Chemistry. 9, p. 3342-3553 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

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Origin of the ethane rotational barrier: Steric repulsion or hyperconjugation?

Bickelhaupt, FM., 28 Aug 2005, In : Abstracts of Papers - American Chemical Society. 230, p. U3003-U3004

Research output: Contribution to JournalArticleAcademicpeer-review

Phosphaspiropentene as transient intermediate

Slootweg, J. C., van Zeist, W-J., de Kanter, F. J. J., Schakel, M., Ehlers, A. W., Lutz, M., Spek, A. L. & Lammertsma, K., 2005, In : Organometallics. 24, p. 5172-5175 3 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Phosphepines: Convenient Access to Phosphinidene Complexes

Borst, M. L. G., Bulo, R. E., Winkel, C., Gibney, D., Schakel, M., Ehlers, A. W. & Lammertsma, K., 2005, In : Journal of the American Chemical Society. 127, p. 5800-5801

Research output: Contribution to JournalArticleAcademicpeer-review

Phosphines
Alkynes
Alkenes
Transition metals
Alcohols

Relaxed spin states of iron complexes: The case for OPBE

Swart, M., Ehlers, A. W., Groenhof, A. R. & Lammertsma, K., 2005, In : Abstracts of Papers - American Chemical Society. 230, p. U2027-U2027

Research output: Contribution to JournalArticleAcademicpeer-review

Self-propagating reactions for environmental protection: Treatment of wastes containing asbestos

Porcu, M., Orru, R. V. A., Cincotti, A. & Cao, G., 2005, In : Industrial and Engineering Chemistry Research. 44, 1, p. 85-91

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
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Simultaneous spark plasma synthesis and consolidation of WC/Co composites

Locci, A. M., Orru, R. V. A. & Cao, G., 2005, In : Journal of Materials Research. 20, 3, p. 734-741 8 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
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Strained Stable 2-Aza-1-Phosphabicyclo[/n/.1.0]alkane and -alkene Fe(CO4) Complexes with Dynamic Phosphinidene Behavior

Borst, M. L. G., van der Riet, N., Lemmens, R. H., De Kanter, F. J. J., Schakel, M., Ehlers, A. W., Mills, A. M., Lutz, M., Spek, A. L. & Lammertsma, K., 2005, In : Chemistry: A European Journal. 11, p. 3631-3642

Research output: Contribution to JournalArticleAcademicpeer-review

Alkanes
Cycloaddition
Alkenes
Carbon Monoxide
Paraffins

Substituent effects on hydrogen bonding in Watson-Crick base pairs

Bickelhaupt, FM., 28 Aug 2005, In : Abstracts of Papers - American Chemical Society. 230, p. U1298-U1299

Research output: Contribution to JournalArticleAcademicpeer-review

Substrate binding in the active site of cytochrome P450cam

Swart, M., Groenhof, A. R., Ehlers, A. W. & Lammertsma, K., 2005, In : Chemical Physics Letters. 403(1-3), p. 35-41 6 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Camphor 5-Monooxygenase
cytochromes
Cytochromes
Density functional theory
Hydrogen bonds

The asymmetric Schrock olefin metathesis catalysts. A computational study

Goumans, T. P. M., Ehlers, A. W. & Lammertsma, K., 2005, In : Organometallics. 24, p. 3200-3206 6 p.

Research output: Contribution to JournalArticleAcademicpeer-review

metathesis
Alkenes
alkenes
catalysts
Catalysts

Toward the catalytic synthesis of phosphiranes. A computational study

Goumans, T. P. M., Ehlers, A. W. & Lammertsma, K., 2005, In : Journal of Organometallic Chemistry. 690, 24-25, p. 5517-5524

Research output: Contribution to JournalArticleAcademicpeer-review

synthesis
Zirconocene dichloride

Traction for low-back pain with or without sciatica

Clarke, J. A., van Tulder, M. W., Blomberg, S. E. I., de Vet, H. C. W., van der Heijden, G. J. M. G. & Bronfort, G., 2005, In : Cochrane Database of Systematic Reviews. 4

Research output: Contribution to JournalArticleAcademicpeer-review

Valence isomerization of 2-phospha[1.1.0]bicyclobutanes

Slootweg, J. C., Krill, S., De Kanter, F. J. J., Schakel, M., Ehlers, A. W., Lutz, M., Spek, A. L. & Lammertsma, K., 2005, In : Angewandte Chemie International Edition in English. 44, p. 6579-6582 3 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Butanes
Butane
Carbon Monoxide
Isomerization

Valence Isomerization of 2-phospha[1.1.0]bicyclobutanes

Slootweg, J. C., Krill, S., De Kanter, F. J. J., Schakel, M., Ehlers, A. W., Lutz, M., Spek, A. L. & Lammertsma, K., 2005, In : Angewandte Chemie International Edition in English. 117, p. 6737-6740 3 p.

Research output: Contribution to JournalArticleAcademicpeer-review

What can a chemist learn from nature's macrocycles?--a brief, conceptual view

Wessjohann, L. A., Ruijter, E., Garcia-Rivera, D. & Brandt, W., 2005, In : Molecular Diversity. 9, 1-3, p. 171-86

Research output: Contribution to JournalArticleAcademicpeer-review

2004

(m-Methylene)bis(methylzirconocene): Preparation, Molecular Structure, and Thermal Disproportionation

Hogenbirk, M., Schat, G., Akkerman, O. S., Bickelhaupt, F., Schottek, J., Froehlich, R., Kehr, G., Erker, G., Kooijman, H. & Spek, A. L., 2004, In : European Journal of Inorganic Chemistry. p. 1175-1182 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Molecular structure
Hot Temperature

2-phospha-4-silabicyclo[1.1.0]butane as a reactive intermediate

Slootweg, J. C., De Kanter, F. J. J., Schakel, M., Ehlers, A. W., Gehrhus, B., Lutz, M., Mills, A. M., Spek, A. L. & Lammertsma, K., 2004, In : Angewandte Chemie International Edition in English. 43, p. 3474-3477

Research output: Contribution to JournalArticleAcademicpeer-review

Butane
2-phospha-4-silabicyclo(1.1.0)butane

Advanced modelling of self-propagating high-temperature synthesis: the case of the Ti-C system

Locci, A. M., Cincotti, A., Delogu, F., Orru, R. V. A. & Cao, G., 2004, In : Chemical Engineering Science. 59, 22-23, p. 5121-5128

Research output: Contribution to JournalArticleAcademicpeer-review

A new route to protected acyloins and their enzymatic resolution with lipases

Scheid, G. O., Kuit, W., Ruijter, E., Orru, R. V. A., Henke, E., Bornscheuer, U. & Wessjohann, L. A., 2004, In : European Journal of Organic Chemistry. 5, p. 1063-1074

Research output: Contribution to JournalArticleAcademicpeer-review

Lipase
esters
routes
alkylation
Germany

A new scavenger resin for the reversible linking and monoprotection of functionalized aromatic aldehydes

Zhu, M., Ruijter, E. & Wessjohann, L. A., 2004, In : Organic Letters. 6, 22, p. 3921-4

Research output: Contribution to JournalArticleAcademicpeer-review

Assessment of a new cell culture perfusion apparatus for in vitro chronic toxicity testing. Part I: Technical description

Koppelstaetter, C., Jennings, P., Ryan, M. P., Morin, J. P., Hartung, T. & Pfaller, W., 2004, In : Altex. 21, 2, p. 51-60 10 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Cell Culture Techniques
Perfusion
Secondary Metabolism
Kidney
Drug Evaluation

Assessment of a new cell culture perfusion apparatus for in vitro chronic toxicity testing part 2: Toxicological evaluation

Jennings, P., Koppelstaetter, C., Pfaller, W., Morin, J. P., Hartung, T. & Ryan, M. P., 2004, In : Altex. 21, 2, p. 61-66 6 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Toxicology
Cell Culture Techniques
Perfusion
Animal Use Alternatives
gamma-Glutamyltransferase

Branched Phospha[7]triangulanes

Slootweg, J. C., Schakel, M., De Kanter, F. J. J., Ehlers, A. W., Kozhushkov, S. I., de Meijere, A., Lutz, M., Spek, A. L. & Lammertsma, K., 2004, In : Journal of the American Chemical Society. 126, p. 3050-3051

Research output: Contribution to JournalArticleAcademicpeer-review

Carbon Monoxide

C-C bond insertion of a complexed phosphinidene into 1,6-methano[10]annulene

Bulo, R. E., Trion, L., Ehlers, A. W., de Kanter, F. J. J., Schakel, M., Lutz, M., Spek, A. L. & Lammertsma, K., 2004, In : Chemistry: A European Journal. 10, 21, p. 5332-7

Research output: Contribution to JournalArticleAcademicpeer-review

Carbon Monoxide

Chemically-activated combustion synthesis of TiC-Ti composites

Licheri, R., Orru, R. V. A. & Cao, G., 2004, In : Materials Science and Engineering A. Structural Materials Properties Microstructure and Processing. 367, 1-2, p. 185-197

Research output: Contribution to JournalArticleAcademicpeer-review

Combustion synthesis of TIC-metal composites and related plasma spraying deposition

Licheri, R., Orru, R. V. A., Locci, A. M. & Cao, G., 2004, In : International Journal of Materials and Product Technology. 20, 5-6, p. 464-478

Research output: Contribution to JournalArticleAcademicpeer-review

Comparison of Laurentian Fulvic Acid luminescence with that of the hydroquinone/quinone model system: Evidence from low temperature fluorescence studies and EPR spectroscopy

Ariese, F., van Assema, S. G. A., Gooijer, C., Bruccoleri, A. G. & Langford, C. H., 2004, In : Aquatic Sciences. 66, 1, p. 86-94

Research output: Contribution to JournalArticleAcademicpeer-review

hydroquinone
fulvic acids
luminescence
electron spin resonance
fulvic acid

Dynamic Configurational Isomerism of a Stable Pentaorganosilicate

Couzijn, E. P. A., Schakel, M., De Kanter, F. J. J., Ehlers, A. W., Lutz, M., Spek, A. L. & Lammertsma, K., 2004, In : Angewandte Chemie International Edition in English. 116, p. 3522-3524

Research output: Contribution to JournalArticleAcademicpeer-review

Generating and dimerizing the transient 16-electron phosphinidene complex [Cp*Ir=PAr]: a theoretical and experimental study

Termaten, A. T., Nijbacker, T., Ehlers, A. W., Schakel, M., Lutz, M., Spek, A. L., McKee, M. & Lammertsma, K., 2004, In : Chemistry: A European Journal. 10, 16, p. 4063-4072

Research output: Contribution to JournalArticleAcademicpeer-review

Dimerization
Density functional theory
Geometry
Electrons

Improved Reaction and Activation Energies of [4+2] Cycloadditions, [3+3] Sigmatropic Rearrangements and Electrocyclizations with the Spin-Component-Scaled MP2 Method

Goumans, T. P. M., Ehlers, A. W., Lammertsma, K., Wuerthwein, E-U. & Grimme, S., 2004, In : Chemistry: A European Journal. 10, p. 6468-6475 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Cycloaddition
Activation energy
Experiments
Organic Chemistry

Investigantions on the reactivity of Bis(bromomagnesio)trimethylsilylmethane - Molecular structure of a Tebbe-type Spiro-organomagnesium compound

Hogenbirk, M., Schat, G., De Kanter, F. J. J., Akkerman, O. S., Bickelhaupt, F., Kooijman, H. & Spek, A. L., 2004, In : European Journal of Inorganic Chemistry. p. 2045-2052

Research output: Contribution to JournalArticleAcademicpeer-review

Spiro Compounds
Molecular structure

Isomerization of 2-phospha-4-silabicyclo[1.10]butane

Slootweg, J. C., Ehlers, A. W. & Lammertsma, K., 2004, In : Phosphorus, Sulfur and Silicon and the Related Elements. 179, p. 803-807 4 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Isomerism
Isomerization
Hydrocarbons
butane
1,3-butadiene

Liquid chromatography coupled to nuclear magnetic resonance spectroscopy for the identification of isoflavone glucoside malonates in T. pratense L. leaves

de Rijke, E., de Kanter, F. J. J., Ariese, F., Brinkman, U. A. T. & Gooijer, C., 2004, In : Journal of Separation Science. 27, 13, p. 1061-70

Research output: Contribution to JournalArticleAcademicpeer-review

Malonates
Isoflavones
Liquid chromatography
Glucosides
Nuclear magnetic resonance spectroscopy

On the use of industrial scraps for the treatment of zinc hydrometallurgical wastes by self-propagating reactions

Porcu, M., Orru, R. V. A. & Cao, G., 2004, In : Chemical Engineering Journal. 99, 3, p. 247-256

Research output: Contribution to JournalArticleAcademicpeer-review

Performance of the OPBE exchange-correlation functional

Swart, M., Ehlers, A. W. & Lammertsma, K., 2004, In : Molecular Physics. 102, 23-24, p. 2467-2474

Research output: Contribution to JournalArticleAcademicpeer-review

functionals
Density functional theory
Iron
Atomization
density functional theory

QM/MM study on the catalytic cycle of cytochrome P450: The importance of selecting an appropriate density functional theory functional.

Swart, M., Groenhof, A. R., Ehlers, A. W. & Lammertsma, K., 2004, In : Abstracts of Papers - American Chemical Society. 227, p. U1449-U1449

Research output: Contribution to JournalArticleAcademicpeer-review

Random laser action in self-organized para-sexiphenyl nanofibers grown by hot-wall epitaxy

Quochi, F., Cordella, F., Orru, R. V. A., Communal, J. E., Verzeroli, P., Mura, A., Bongiovanni, G., Andreev, A., Sitter, H. & Sariciftci, N. S., 2004, In : Applied Physics Letters. 84, 22, p. 4454-4456 3 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
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Reaction of a terminal phosphinidene complex with azulenes: n1-complexes, C-H bond insertions, and 1,4-adducts

Bulo, R. E., Ehlers, A. W., De Kanter, F. J. J., Schakel, M., Lutz, M., Spek, A. L., Lammertsma, K. & Wang, B., 2004, In : Chemistry: A European Journal. 10, p. 2732-2738

Research output: Contribution to JournalArticleAcademicpeer-review

Azulenes
Carbon Monoxide

Reaction of the silylene Si[(NCH2But) 2C6H4-1,2] with the alkali metal silylamides M[N(SiMe3)R] (M = Li, Na or K; R = SiMe3 or SiMe2Ph)

Antolini, F., Gehrhus, B., Hitchcock, P. B., Lappert, M. F. & Slootweg, J. C., 2004, In : Dalton Transactions. 20, p. 3288-3294

Research output: Contribution to JournalArticleAcademicpeer-review

Alkali Metals

Reaction of the sylilene Si[NCH2tBu)2C6H4-1,2] with the alkali metal silylamides M[N(SiMe3)R] (M = Li, Na or K; R = SiMe3 or SiMe2Ph)

Antolini, F., Gehrhus, B., Hitchcock, P. B., Lappert, M. F. & Slootweg, J. C., 2004, In : Dalton Transactions. p. 3050-3051 1 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Alkali Metals

Synthesis and resolution of a key building block for epothilones: a comparison of asymmetric synthesis, chemical and enzymatic resolution

Scheid, G. O., Ruijter, E., Konarzycka-Bessler, M., Bornscheuer, U. & Wessjohann, L. A., 2004, In : Tetrahedron: Asymmetry. 15, 18, p. 2861-2869

Research output: Contribution to JournalArticleAcademicpeer-review

The circumambulation of a Phosphirane: Taking 9-phenyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene for a "Walk"

Bulo, R. E., Jansen, H., Ehlers, A. W., De Kanter, F. J. J., Schakel, M., Lutz, M., Spek, A. L. & Lammertsma, K., 2004, In : Angewandte Chemie International Edition in English. 43, p. 714-717

Research output: Contribution to JournalArticleAcademicpeer-review

Hydrocarbons
Temperature

Validation of exchange - Correlation functionals for spin states of iron complexes

Swart, M., Groenhof, A. R., Ehlers, A. W. & Lammertsma, K., 2004, In : Journal of Physical Chemistry A. 108, 25, p. 5479-5483

Research output: Contribution to JournalArticleAcademicpeer-review

functionals
Density functional theory
Iron
Ground state
iron
2003

6-Phenyldibenzo[b,d]phosphine

de Koe, P. & Bickelhaupt, F., 2003, In : Zeitschrift für Naturforschung. Section B: A Journal of Chemical Sciences. 58b, p. 782782-782786 5 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Ab initio study of the thermal isomerization of tricyclo[3.1.0.0(2,6)]hexane to (Z,Z)-1,3-cyclohexadiene through the (E,Z)-1,3-cyclohexadiene intermediate

Davis, S. R., Nguyen, K. A., Lammertsma, K., Mattern, D. L. & Walker, J. P., 2003, In : Journal of Physical Chemistry A. 107, 1, p. 198-203

Research output: Contribution to JournalArticleAcademicpeer-review

Hexanes
Isomerization
isomerization
1,3-cyclohexadiene
Hot Temperature

A biomimetic approach towards the stereoselective synthesis of acetogenins

Orru, R. V. A., de Greef, M., van Heijst, J., Hunting, M., Wessling, C. & Schmitz, R. F., 2003, In : Pure and Applied Chemistry. 75, p. 259

Research output: Contribution to JournalArticleAcademicpeer-review

Accuracy of geometries: Influence of basis set, exchange-correlation potential, inclusion of core electrons, and relativistic corrections

Swart, M. & Snijders, J. G., 2003, In : Theoretical Chemistry Accounts. 110, p. 34-41 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

inclusions
Geometry
Electrons
geometry
electrons