Research Output 1988 2019

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2003

Add Remove: A new link model for use in QM/MM studies

Swart, M., 2003, In : International Journal of Quantum Chemistry. 91, p. 177-183 6 p.

Research output: Contribution to JournalArticleAcademicpeer-review

A novel four-component reaction for the synthesis of functionalised dihydropyrimidines

Vugts, D. J., Jansen, H., Schmitz, R. F., de Kanter, F. J. J. & Orru, R. V. A., 2003, In : Chemical Commununications. 20, p. 2594-5

Research output: Contribution to JournalArticleAcademicpeer-review

A Novel Four-component Reaction for the Synthesis of Functionalized Dihydropyrimidines

Vugts, D. J., Jansen, H., Schmitz, R. F., De Kanter, F. J. J. & Orru, R. V. A., 2003, In : Organic Letters. p. 2594

Research output: Contribution to JournalArticleAcademicpeer-review

A novel macrokinetic approach for mechanochemical reactions

Delogu, F., Orru, R. V. A. & Cao, G., 2003, In : Chemical Engineering Science. 58, 3-6, p. 815-821

Research output: Contribution to JournalArticleAcademicpeer-review

A review on combustion synthesis of novel materials: recent experimental and modeling results

Cincotti, A., Licheri, R., Locci, A. M., Orru, R. V. A. & Cao, G., 2003, In : Journal of Chemical Technology and Biotechnology. 78, 2-3, p. 122-127

Research output: Contribution to JournalArticleAcademicpeer-review

A Short and Selective Synthetic Route to (S)-Acyloins via Lipase Catalyzed Hydrolysis (+)-Acyloin Acetates

Scheid, G. O., Orru, R. V. A., Kuit, W., Henke, E., Bornscheuer, U. & Wessjohann, L. A., 2003, In : European Journal of Organic Chemistry.

Research output: Contribution to JournalArticleAcademicpeer-review

Copper(I) chloride initiated decomposition of 7-phosphanorbornadiene. Evidence for a solvent-assisted catalytic mechanism

Lammertsma, K., Ehlers, A. W. & McKee, M., 2003, In : Journal of the American Chemical Society. 125, 48, p. 14750-9

Research output: Contribution to JournalArticleAcademicpeer-review

Carbon Monoxide
Density functional theory
Decomposition
cuprous chloride

Development of processes for environmental protection based on self-propagating reactions

Orru, R. V. A., Cincotti, A., Concas, A. & Cao, G., 2003, In : Environmental Science and Pollution Research International. 10, 6, p. 385-9

Research output: Contribution to JournalArticleAcademicpeer-review

Effect of phase transformation during high energy milling on field activated synthesis of dense MoSi2

Sannia, M., Orru, R. V. A., Garay, J. E., Cao, G. & Munir, Z. A., 2003, In : Materials Science and Engineering A. Structural Materials Properties Microstructure and Processing. 345, 1-2, p. 270-277

Research output: Contribution to JournalArticleAcademicpeer-review

Endo/Exo preferences for double bonds in three-membered rings including phosphorus compounds

Goumans, T. P. M., Ehlers, A. W., Lammertsma, K. & Wuerthwein, E-U., 2003, In : European Journal of Organic Chemistry. p. 2941-2946 5 p.

Research output: Contribution to JournalArticleAcademicpeer-review

endolexo preferences for double bonds in three-membered rings including phosphorus compounds

Goumans, T. P. M., Ehlers, A. W., Lammertsma, K. & Wurthwein, E. U., 2003, In : European Journal of Organic Chemistry. 15, p. 2941-2946

Research output: Contribution to JournalArticleAcademicpeer-review

Field-activated pressure-assisted synthesis of NiTi

Locci, A. M., Orru, R. V. A., Cao, G. & Munir, Z. A., 2003, In : Intermetallics. 11, 6, p. 555-571

Research output: Contribution to JournalArticleAcademicpeer-review

Investigations on 1-Metallaindanes

Schreuder Goedheijt, M., Nijbacker, T., Horton, A. D., De Kanter, F. J. J., Akkerman, O. S. & Bickelhaupt, F., 2003, In : European Journal of Inorganic Chemistry. p. 638-643 5 p.

Research output: Contribution to JournalArticleAcademicpeer-review

N-Heterocyclic Carbene Functionalized Iridium Phsophinidene Complex Cp*(NHC)Ir=PMes*. Comparison of Phosphinidene, Imido, and Carbene Complexes

Termaten, A. T., Schakel, M., Ehlers, A. W., Lutz, M., Spek, A. L. & Lammertsma, K., 2003, In : Chemistry: A European Journal. 9, p. 3577-3582 5 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Iridium
carbene

Non-planarity at tri-coordinated aluminum and gallium ! Novel structures for X3Hnm (X=B, Al, Ga; n = 3, m =-2; n = 4, m = -1; n = 5, m = 0; n = 6, m = +1)

Srinivas, G. N., Anoop, A., Jemmis, E. D., Hamilton, T. P., Lammertsma, K., Leszczynski, J. & Schaefer, H. F., 2003, In : Journal of the American Chemical Society. 125, p. 16397-16407 10 p.

Research output: Contribution to JournalArticleAcademicpeer-review

gallium
aluminum
energy

Novel Multicomponent Reaction for the Combinatorial Synthesis 0f 2-Imidazolines

Bon, R. S., Hong, C., Bouma, M. J., Schmitz, R. F., De Kanter, F. J. J., Lutz, M., Spek, A. L. & Orru, R. V. A., 2003, In : Organic Letters. 5, 20, p. 3759-3762 4 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Cyanides
aldehydes
Aldehydes
Amines
Condensation

OM/MM study of cytochrome P450: The influence of the enzyme environment on specific steps in the catalytic cycle

Swart, M., Groenhof, A. R., Ehlers, A. W. & Lammertsma, K., 2003, In : Abstracts of Papers - American Chemical Society. 225, p. U9-U9

Research output: Contribution to JournalArticleAcademicpeer-review

Photodissociation of phosphine substituted transition metal carbonyls. A theoretical study.

Goumans, T. P. M., Ehlers, A. W., van Hemert, M. C., Rosa, A., Baerends, E. J. & Lammertsma, K., 2003, In : Journal of the American Chemical Society. 125, p. 3558-3567 9 p.

Research output: Contribution to JournalArticleAcademicpeer-review

phosphine
Photodissociation
Photochemical reactions
Carbon Monoxide
Transition metals

Photoexcitation energy loss in molecular semiconductors

Bongiovanni, G., Cordella, F., Orru, R. V. A. & Mura, A., 2003, In : Synthetic Metals. 139, 3, p. 723-726

Research output: Contribution to JournalArticleAcademicpeer-review

Rapid Combinatorial Access to Macrocyclic Ansa-Peptoids with a Natural Product Like Core Structure

de Greef, M., De Kanter, F. J. J., Doemling, A., Orru, R. V. A. & Wessjohann, L. A., 2003, In : Organic Letters.

Research output: Contribution to JournalArticleAcademicpeer-review

Recent advances in solution-phase multicomponent methodology for the synthesis of heterocyclic compounds

Orru, R. V. A. & de Greef, M., 2003, In : Synthesis. p. 1471

Research output: Contribution to JournalArticleAcademicpeer-review

Recent advances in the chemistry of a stable silylene.

Gehrhus, B., Pongtavornpinyo, R., Slootweg, J. C. & Zhang, L. L., 2003, In : Abstracts of Papers - American Chemical Society. 226, p. U722-U722

Research output: Contribution to JournalArticleAcademicpeer-review

Self-propagating combustion synthesis and plasma spraying deposition of TiC-Fe powders

Licheri, R., Orru, R. V. A., Cao, G., Crippa, A. & Scholz, R., 2003, In : Ceramics International. 29, 5, p. 519-526

Research output: Contribution to JournalArticleAcademicpeer-review

Syntheses and reactions of terminal Osmium and Ruthenium complexed phosphinidenes n6-Ar(L)M=PMes*

Termaten, A. T., Nijbacker, T., Schakel, M., Lutz, M., Spek, A. L. & Lammertsma, K., 2003, In : Chemistry: A European Journal. 9, p. 2200-2208 8 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Osmium
Ruthenium

Terminal phosphinidene complexes Cp-R(L)M=PAr of the group 9 transition metals cobalt, rhodium, and iridium. Synthesis, structures, and properties

Termaten, A. T., Aktas, H., Schakel, M., Ehlers, A. W., Lutz, M., Spek, A. L. & Lammertsma, K., 2003, In : Organometallics. 22, 9, p. 1827-1834

Research output: Contribution to JournalArticleAcademicpeer-review

Iridium
Rhodium
Cobalt
iridium
rhodium

The facile synthesis of chiral oxazoline catalysts for the diethylzinc addition to aldehydes

Braga, A. L., Rubim, R. M., Schrekker, H. S., Wessjohann, L. A., de Bolster, M. W. G., Zeni, G. & Sehnem, J. A., 2003, In : Tetrahedron: Asymmetry. 14, p. 3291-3295 4 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Aldehydes
aldehydes
catalysts
Catalysts
synthesis

Theoretical study of molecular structure, tautomerism, and geometrical isomerism of N-methyl and N-phenyl substituted cyclic imidazolines, oxalines and thiazolines

Dr. Remko, M., van Duijnen, P. T. & Swart, M., 2003, In : Structural Chemistry. 14, p. 271-278 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Imidazolines
tautomers
Isomers
Molecular structure
molecular structure

The Substituent Effect of the Phosphaalkenyl Group

Termaten, A. T., van der Sluis, M. & Bickelhaupt, F., 2003, In : European Journal of Organic Chemistry. p. 2049-2055 6 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Transient hot-phonon-to-exciton spectroscopy in organic molecular semiconductors

Cordella, F., Orru, R. V. A., Loi, M. A., Mura, A. & Bongiovanni, G., 2003, In : Physical Review B (Condensed Matter and Materials Physics). 68, 11

Research output: Contribution to JournalArticleAcademicpeer-review

2002

Bridged (alkoxo)CoIII(salen) complexes: synthesis and structure

Blaauw, R., van der Baan, J. L., Balt, S., de Bolster, M. W. G., Klumpp, G. W., Kooijman, H. & Spek, A. L., 2002, In : Inorganica Chimica Acta. 336, p. 29-38 9 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Oxygenation
oxygenation
preparation
synthesis
disalicylaldehyde ethylenediamine

Carbanions as Intermediates in the Formation of Grignard Reagents

van Klink, G. P. M., de Boer, H. J. R., Schat, G., Akkerman, O. S., Bickelhaupt, F. & Spek, A. L., 2002, In : Organometallics. 21, p. 2119-2135 16 p.

Research output: Contribution to JournalArticleAcademicpeer-review

reagents

Carbene-like chemistry of phosphindene complexes - Reactions, applications, and mechanistic insights

Lammertsma, K. & Vlaar, M. J. M., 2002, In : European Journal of Organic Chemistry. p. 1127-1138 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Optical rotation
Stereoisomerism
Enantiomers
Enzymes
Biological Products
Antineoplastic Agents
Optical rotation
Stereoisomerism
Enantiomers
Enzymes

C-N bond insertion of a complexed phosphinidene into a bis(imine) - A novel 2,3-sigmatropic shift

Vlaar, M. J. M., Valkier, P., Schakel, M., Ehlers, A. W., Lutz, M., Spek, A. L. & Lammertsma, K., 2002, In : European Journal of Organic Chemistry. 11, p. 1797-1802

Research output: Contribution to JournalArticleAcademicpeer-review

Collison effects in the nonlinear Raman response of liquid carbon disulfide

Jansen, T. I. C., Swart, M., Jensen, L., van Duijnen, P. T., Snijders, J. G. & Duppen, K., 2002, In : Journal of Chemical Physics. 116, 8, p. 3277-3285 9 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
File
Carbon Disulfide
carbon disulfide
Liquids
liquids
Dimers

Formaldehyde oxime reversible arrow nitrosomethane tautomerism. (vol 66, pg 6762, 2001)

Long, J. A., Harris, N. & Lammertsma, K., 2002, In : Journal of Organic Chemistry. 67, 2, p. 608-608

Research output: Contribution to JournalArticleAcademicpeer-review

Frontier-orbital interactions in hydrogen bonds important for cohesion in molecular crystals and mismatched pairs of DNA bases.

Bickelhaupt, FM., 7 Apr 2002, In : Abstracts of Papers - American Chemical Society. 223, p. U666-U666

Research output: Contribution to JournalArticleAcademicpeer-review

In Situ Formation of Allyl Ketones via Hiyama-Nozaki Reactions Followed by a Chromium-Mediated Oppenauer Oxidation

Schrekker, H. S., de Bolster, M. W. G., Orru, R. V. A. & Wessjohann, L. A., 2002, In : Journal of Organic Chemistry. 67, 7, p. 1975-1981 6 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Chromium
Ketones
Oxidation
Aldehydes
Substitution reactions

Intensive care nurse consultancy decreases the readmission rate after ICU discharge

Jurrjens, F., Slootweg, J. C., Rommes, J. H. & Spronk, P. E., 2002, In : Intensive Care Medicine. 28, p. S205-S205

Research output: Contribution to JournalArticleAcademicpeer-review

Medium perturbations on the molecular polarizability calculated within a localized dipole interaction model

Jensen, L., Swart, M., van Duijnen, P. T. & Snijders, J. G., 2002, In : Journal of Chemical Physics. 117, 7, p. 3316-3320 4 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
File
dipoles
perturbation
Molecules
Water
solutes

Metal-template-directed synthesis of diphosphorus compounds through intramolecular phosphinidene additions

Vlaar, M. J. M., van Assema, S. G. A., De Kanter, F. J. J., Schakel, M., Spek, A. L., Lutz, M. & Lammertsma, K., 2002, In : Chemistry: A European Journal. 8, p. 58-65 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Nucleophilic or electrophilic phosphinidene Complex MLn=PH; what makes the difference ?

Ehlers, A. W., Baerends, E. J. & Lammertsma, K., 2002, In : Journal of the American Chemical Society. 124, p. 2831-2838 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Local density approximation
Coordination Complexes
Transition metals

Oligomeric 1,2-dihydro-1-magnesacyclobuta[a]naphthalene

Nijbacker, T., Schreuder Goedheijt, M., De Kanter, F. J. J., Akkerman, O. S. & Bickelhaupt, F., 2002, In : Main Group Metal Chemistry. 25, p. 121-127 6 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Polarizabilities in the condensed phase and the local fields problem: A direct reaction field formulation

van Duijnen, P. T., de Vries, A. H., Swart, M. & Grozema, F. C., 2002, In : Journal of Chemical Physics. 117, 18, p. 8442-8453 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
File

Self-propagating reactions for environmental protection: state of the art and future directions

Cao, G. & Orru, R. V. A., 2002, In : Chemical Engineering Journal. 87, 2, p. 239-249

Research output: Contribution to JournalArticleAcademicpeer-review

State-to-state photodissociation of OCS (nu(2)=0,1 vertical bar JlM). I. The angular recoil distribution of CO (X (1)Sigma(+);v=0 vertical bar J)

van den Brom, A. J., Rakitzis, T. P., van Heyst, J., Kitsopoulos, T. N., Jezowski, S. & Janssen, M. H. M., 2002, In : Journal of Chemical Physics. 117, 9, p. 4255-4263

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
File
Photodissociation
Angular distribution
Carbon Monoxide
photodissociation

State-to-state photodissociation of OCS (v2=0,1�|JIM): 1.The angular recoil distribution of CO (X1S+ ; v=0|J)

van den Brom, A. J., Rakitzis, T. P., van Heyst, J., Kitsopoulos, T. N., Jezowski, S. & Janssen, M. H. M., 2002, In : Journal of Chemical Physics. 117, p. 4255-4263

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
File
Photodissociation
Angular distribution
Carbon Monoxide
photodissociation

Structural properties of azaphosphirane and its W(CO)5 complex. A density functional study

Goumans, T. P. M., Ehlers, A. W., Vlaar, M. J. M., Strand, S. J. & Lammertsma, K., 2002, In : Journal of Organometallic Chemistry. 643-644, p. 369-375 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Carbon Monoxide
Structural properties
rings
Phenyl-P adhesion promoting monomer

Synthesis, Structures and Strain Energies of Dispirophosphiranes. Comparisons with Dispirocyclopropanes

Vlaar, M. J. M., Lor, M. H., Ehlers, A. W., Schakel, M., Lutz, M., Spek, A. L. & Lammertsma, K., 2002, In : Journal of Organic Chemistry. 67, p. 2485-2493 8 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Carbon Monoxide
Strain energy