P. Budzelaar

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Mechanisms of branch formation in metal‐catalyzed ethene polymerization

P. Budzelaar, 2012 .

An Integrated High Throughput Experimentation/Predictive QSAR Modeling Approach to ansa-Zirconocene Catalysts for Isotactic Polypropylene

R. Di Girolamo, P. Budzelaar, V. Busico, 2020, Polymers.

Backbone rearrangement during olefin capture as the rate limiting step in molecular olefin polymerization catalysis and its effect on comonomer affinity

P. Budzelaar, V. Busico, C. Ehm, 2017 .

Methylaluminoxane’s Molecular Cousin: A Well-defined and “Complete” Al-Activator for Molecular Olefin Polymerization Catalysts

A. Macchioni, C. Zuccaccia, P. Budzelaar, 2021 .

Reductive Elimination Leading to C-C Bond Formation in Gold(III) Complexes: A Mechanistic and Computational Study.

P. Budzelaar, M. Bochmann, J. Fernandez-Cestau, 2018, Chemistry.

[Cp2TiCH2CHMe(SiMe3)]+, an alkyl-titanium complex which (a) exists in equilibrium between a β-agostic and a lower energy γ-agostic isomer and (b) undergoes hydrogen atom exchange between α-, β-, and γ-sites via a combination of conventional β-hydrogen elimination-reinsertion and a nonconventional CH

P. Budzelaar, M. C. Baird, Alexandre F. Dunlop-Brière, 2013, Journal of the American Chemical Society.

Efficient palladium catalysts for the carbonylation of alkynes

P. Budzelaar, P. Arnoldy, E. Drent, 1993 .

Palladium-Catalyzed Alternating Copolymerization of Alkenes and Carbon Monoxide.

P. Budzelaar, E. Drent, 1996, Chemical reviews.

Rhodium and Iridium β-Diiminate Complexes – Olefin Hydrogenation Step by Step

R. Gelder, P. Budzelaar, J. Smits, 2000 .

Gold(III) Alkyne Complexes: Bonding and Reaction Pathways

I. Chambrier, P. Budzelaar, M. Bochmann, 2017, Angewandte Chemie.

Chain Transfer to Solvent and Monomer in Early Transition Metal Catalyzed Olefin Polymerization: Mechanisms and Implications for Catalysis

A. Macchioni, C. Zuccaccia, P. Budzelaar, 2021, Catalysts.

Toluene and α-Olefins as Radical Scavengers: Direct NMR Evidence for Homolytic Chain Transfer Mechanism Leading to Benzyl and “Dormant” Titanium Allyl Complexes

A. Macchioni, C. Zuccaccia, P. Budzelaar, 2018, Organometallics.

Metal–carbon bond strengths under polymerization conditions: 2,1-insertion as a catalyst stress test

P. Budzelaar, V. Busico, C. Ehm, 2017 .

Tuning the Relative Energies of Propagation and Chain Termination Barriers in Polyolefin Catalysis through Electronic and Steric Effects

P. Budzelaar, V. Busico, C. Ehm, 2017 .

Accurate Prediction of Copolymerization Statistics in Molecular Olefin Polymerization Catalysis: The Role of Entropic, Electronic, and Steric Effects in Catalyst Comonomer Affinity

P. Budzelaar, V. Busico, C. Ehm, 2017 .

Role(s) of TMA in polymerization.

P. Budzelaar, V. Busico, C. Ehm, 2016, Dalton transactions.

H2 activation by zirconaziridinium ions: σ-bond metathesis versus frustrated Lewis pair reactivity.

A. Macchioni, P. Budzelaar, M. Bochmann, 2020, Chemical communications.

The unusual solid state structures of the pentasubstituted bis(cyclopentadienyl)zinc compounds bis(pentamethylcyclopentadienyl)zinc and bis(tetramethylphenylcyclopentadienyl)zinc

G. Koten, A. Spek, P. Budzelaar, 1989 .

Zinc enolates: C- or O-metallation?

A. Spek, P. Budzelaar, J. Boersma, 1987 .

The structure of dicyclopentadienylzinc

A. Spek, P. Budzelaar, J. Boersma, 1985 .

Internally coordinated organozinc-transition metal compounds. Crystal structure of (CH3)2N(CH2)3ZnW(ν-C5H5)(CO)3

A. Spek, P. Budzelaar, J. Boersma, 1983 .

Selection of Low-Dimensional 3-D Geometric Descriptors for Accurate Enantioselectivity Prediction

L. Cavallo, P. Budzelaar, V. Busico, 2022, ACS Catalysis.

Unconventional Stereoerror Formation Mechanisms in Nonmetallocene Propene Polymerization Systems Revealed by DFT Calculations

G. Talarico, C. De Rosa, P. Budzelaar, 2022, The journal of physical chemistry. A.

Reductive cleavage of the carbon-phosphorus bond with alkali metals. I. Cleavage of functionalised triphenylphosphines; formation of secondary and primary phosphines

P. Budzelaar, J. Doorn, Nicolaas Meijboom, 2010 .

Phosphorus-bridged metallocenes: New homogeneous catalysts for the polymerization of propene

W. Terlouw, P. Budzelaar, C. Schaverien, 1998 .

Ethene Polymerization Activity and Coordination Gap Aperture in non‐ansa Alkyl‐substituted Cyclopentadienyl‐ and Phospholyl‐zirconium/MAO Catalysts

C. Janiak, P. Budzelaar, D. Lentz, 1996 .

Orbital control in the reductive cleavage of tris(methoxyphenyl)phosphines

P. Budzelaar, Nicolaas Meijboom, J. V. Doom, 1990 .

The molecular and electronic structure of dipiperidinosquaraine

P. Schleyer, P. Budzelaar, R. Weiss, 1985 .

Dichloromethane addition to rhodium-β-diketonate complexes of diphosphines and pyridyl-substituted diphosphines

A. Orpen, J. Frijns, P. Budzelaar, 1990 .

Multiple pathways for dinitrogen activation during the reduction of an Fe Bis(iminepyridine) complex.

P. Budzelaar, S. Gambarotta, I. Korobkov, 2008, Inorganic chemistry.

Heterolytic bond activation at gold: evidence for gold(iii) H–B, H–Si complexes, H–H and H–C cleavage† †Electronic supplementary information (ESI) available: Synthesis, NMR spectroscopic and computational details. See DOI: 10.1039/c8sc05229h

P. Budzelaar, M. Bochmann, L. Rocchigiani, 2019, Chemical science.

Parts-Per-Million (Salen)Fe(III) Homogeneous Catalysts for the Production of Biodiesel from Waste Cooking Oils

A. Amoresano, A. Tuzi, P. Budzelaar, 2022, Catalysis Letters.

Periodic Hybrid DFT Approach (Including Dispersion) to MgCl2-Supported Ziegler–Natta Catalysts. 2. Model Electron Donor Adsorption on MgCl2 Crystal Surfaces

P. Budzelaar, V. Busico, M. D’Amore, 2013 .

The Electronic Structure of (Diiminopyridine)cobalt(I) Complexes

P. Budzelaar, D. Hetterscheid, Q. Knijnenburg, 2004 .

The Ability of the α,α′‐Diiminopyridine Ligand System to Accept Negative Charge: Isolation of Paramagnetic and Diamagnetic Trianions

P. Budzelaar, S. Gambarotta, G. Yap, 2002 .

Metal-to-ligand electron transfer in diiminopyridine complexes of Mn-Zn. A theoretical study.

J. H. van Lenthe, K. Wieghardt, B. de Bruin, 2001, Inorganic chemistry.

Functional models for rhodium-mediated olefin-oxygenation catalysis.

B. de Bruin, P. Budzelaar, A. W. Gal, 2004, Angewandte Chemie.

Thermally Stable Gold(III) Alkene and Alkyne Complexes: Synthesis, Structures, and Assessment of the trans-Influence on Gold-Ligand Bond Enthalpies.

I. Chambrier, P. Budzelaar, M. Bochmann, 2018, Chemistry.

Formation of Gold(III) Alkyls from Gold Alkoxide Complexes

I. Chambrier, P. Budzelaar, M. Bochmann, 2017, Organometallics.

Stereo‐ and Regioselective Alkyne Hydrometallation with Gold(III) Hydrides

P. Budzelaar, M. Bochmann, J. Fernandez-Cestau, 2016, Angewandte Chemie.

Homogeneous catalysis by cationic palladium complexes. Precision catalysis in the carbonylation of alkynes

P. Budzelaar, P. Arnoldy, E. Drent, 1994 .

Ligand Coordination Driven by Monomer and Polymer Chain: The Intriguing Case of Salalen–Ti Catalyst for Propene Polymerization

G. Talarico, P. Budzelaar, 2017 .

Do Gold(III) Complexes Form Hydrogen Bonds? An Exploration of Au(III) Dicarboranyl Chemistry.

I. Chambrier, P. Budzelaar, M. Bochmann, 2019, Chemistry.

Periodic DFT modeling of bulk and surface properties of MgCl2.

V. Barone, C. Zicovich-Wilson, M. Causà, 2009, Physical chemistry chemical physics : PCCP.

Aqueous-Phase Catalysis: Typical Reactions

R. Sheldon, P. Quinn, R. V. Chaudhari, 2008 .

Synthesis and NMR spectroscopic properties of some methyl-substituted 1-methyl-1,4-dihydropyridines

L. Brandsma, P. Budzelaar, J. Boersma, 1980 .

Coordination of Ethene and Propene to a Cationic d0 Vanadium Center

P. Budzelaar, P. Witte, B. Hessen, 1997 .

The nature of the Reformatsky reagent. Crystal structure of (BrZnCH2COO-t-Bu.THF)2

P. Budzelaar, J. Boersma, Jan Dekker, 1984 .

Formation of a paramagnetic Al complex and extrusion of Fe during the reaction of (diiminepyridine)Fe with AlR3 (R = Me, Et).

B. de Bruin, P. Budzelaar, S. Gambarotta, 2005, Journal of the American Chemical Society.

Olefin Polymerization with [{bis(imino)pyridyl}CoIICl2]: Generation of the Active Species Involves CoI

A. Horton, P. Budzelaar, J. Smits, 2001 .

Participation of the alpha,alpha'-diiminopyridine ligand system in reduction of the metal center during alkylation.

P. Budzelaar, S. Gambarotta, G. Yap, 2002, Journal of the American Chemical Society.

Ligand-centred reactivity in diiminepyridine complexes.

P. Budzelaar, S. Gambarotta, Q. Knijnenburg, 2006, Dalton transactions.

Alternating copolymerization of alkenes and carbon monoxide catalyzed by cationic palladium complexes

P. Budzelaar, E. Drent, J. A. Broekhoven, 1996 .

Insertion and -Hydrogen Transfer at Aluminum

G. Talarico, P. Budzelaar, 2003 .

Insight into Oxide-Bridged Heterobimetallic Al/Zr Olefin Polymerization Catalysts.

S. Harder, A. Hofmann, P. Budzelaar, 2016, Chemistry.

Reduction of (Diiminopyridine)iron: Evidence for a Noncationic Polymerization Pathway?

P. Budzelaar, S. Gambarotta, I. Korobkov, 2005 .

Dinitrogen partial reduction by formally zero- and divalent vanadium complexes supported by the bis-iminopyridine system.

P. Budzelaar, S. Gambarotta, I. Korobkov, 2005, Inorganic chemistry.

Isolation and Characterization of a Class II Mixed-Valence Chromium(I)/(II) Self-Activating Ethylene Trimerization Catalyst

P. Budzelaar, S. Gambarotta, M. Murugesu, 2012 .

Mechanism of Ethene Trimerization at an ansa-(Arene)(cyclopentadienyl) Titanium Fragment

P. Budzelaar, A. W. Gal, A. J. Blok, 2003 .

Mimicking Ziegler-Natta Catalysts in Homogeneous Phase, 1. C2-Symmetric Octahedral Zr(IV) Complexes with Tetradentate [ONNO]-Type Ligands

P. Budzelaar, V. Busico, S. Ronca, 2001 .

Formation and Activation of Zr/Hf Bis(phenolate-ether) Precatalysts

David E. Herbert, P. Budzelaar, V. Busico, 2019, European Journal of Inorganic Chemistry.

Structure-Activity Relationships for Bis(phenolate-ether) Zr/Hf Propene Polymerization Catalysts

P. Budzelaar, V. Busico, A. Vittoria, 2020 .

Isolation of a hexanuclear chromium cluster with a tetrahedral hydridic core and its catalytic behavior for ethylene oligomerization.

P. Budzelaar, S. Gambarotta, M. Murugesu, 2014, Inorganic chemistry.

Separating Electronic from Steric Effects in Ethene/α-Olefin Copolymerization: A Case Study on Octahedral [ONNO] Zr-Catalysts

P. Budzelaar, A. Correa, V. Busico, 2019, Processes.

α-Agostic Interactions and Growing Chain Orientation for Olefin Polymerization Catalysts

G. Talarico, P. Budzelaar, 2016 .

Catalyst activation and the dimerization energy of alkylaluminium compounds

P. Budzelaar, V. Busico, C. Ehm, 2014 .

Analysis of Stereochemistry Control in Homogeneous Olefin Polymerization Catalysis

G. Talarico, P. Budzelaar, 2014 .

Structure/Properties Relationship for Bis(phenoxyamine)Zr(IV)-Based Olefin Polymerization Catalysts: A Simple DFT Model To Predict Catalytic Activity

A. Macchioni, G. Ciancaleoni, P. Budzelaar, 2012 .

Structure and Dynamics in Solution of Bis(phenoxy-amine)Zirconium Catalysts for Olefin Polymerization

A. Macchioni, G. Ciancaleoni, P. Budzelaar, 2011 .

Structure-activity relationship in olefin polymerization catalysis: is entropy the key?

A. Macchioni, G. Ciancaleoni, P. Budzelaar, 2010, Journal of the American Chemical Society.

Activation of a bis(phenoxy-amine) precatalyst for olefin polymerisation: first evidence for an outer sphere ion pair with the methylborate counterion.

A. Macchioni, G. Ciancaleoni, P. Budzelaar, 2009, Dalton transactions.

Catalysis of Cross-Coupling and Homocoupling Reactions of Aryl Halides Utilizing Ni(0), Ni(I), and Ni(II) Precursors; Ni(0) Compounds as the Probable Catalytic Species but Ni(I) Compounds as Intermediates and Products

P. Budzelaar, M. C. Baird, Adeela Manzoor, 2017 .

A Measure for σ-Donor and π-Acceptor Properties of Diiminepyridine-Type Ligands

P. Budzelaar, Di Zhu, 2008 .

Rh-mediated polymerization of carbenes: mechanism and stereoregulation.

J. Reek, B. de Bruin, P. Budzelaar, 2007, Journal of the American Chemical Society.

Synthesis and structure of a new phosphonium-1-indenylide (PHIN) ligand, 4,7-dimethyl-1-C9H4PMePh2, and of new PHIN complexes of rhodium and iridium

P. Budzelaar, M. C. Baird, Kourosh Purdavaie, 2015 .

Heterometallic Aluminum–Chromium Phenazine and Thiophenazine Complexes. Formation of a Tetranuclear Chromium(I) Sandwich Complex

P. Budzelaar, S. Gambarotta, G. Nikiforov, 2013 .

Balance between Metal and Ligand Reduction in Diiminepyridine Complexes of Ti

P. Budzelaar, B. Bruin, N. Rahimi, 2017 .

Redox-active ligands and organic radical chemistry.

P. Budzelaar, S. Gambarotta, I. Korobkov, 2011, Inorganic chemistry.

Chemical ligand non-innocence in pyridine diimine Rh complexes

P. Budzelaar, E. Schwartz, D. Hetterscheid, 2004 .

Reversible Alkylation at the Pyridine Nitrogen in a α,α-Diimine Pyridine Ligand System

P. Budzelaar, S. Gambarotta, G. Yap, 2002 .

Metal versus ligand alkylation in the reactivity of the (bis-iminopyridinato)Fe catalyst.

P. Budzelaar, S. Gambarotta, I. Korobkov, 2005, Journal of the American Chemical Society.

Hafnium vs. Zirconium, the Perpetual Battle for Supremacy in Catalytic Olefin Polymerization: A Simple Matter of Electrophilicity?

P. Budzelaar, V. Busico, V. V. Izmer, 2021, Polymers.

Remarkable reactions and intermediates in titanocene(IV) chemistry: migratory insertion reactions of 2,2-disubstituted-1-alkenes, intramolecular 1,5-σ bond metathesis via ε-agostic interactions, and a rare example of a β-agostic alkyltitanocene complex.

F. Sauriol, P. Budzelaar, Jessica F. Sonnenberg, 2010, Journal of the American Chemical Society.

[Cp2TiCH2CH2(SiEt2CHMe2)]+, an Alkyl-titanocene(IV) Complex Containing an Unconventional Ti←C(β)-Si Mode of Bonding

P. Budzelaar, M. C. Baird, Alexandre F. Dunlop-Brière, 2015 .

Mechanisms of α-, β-, and γ-H(D) Exchange Processes in the α-Agostic Alkyltitanocene(IV) Complexes [Cp2TiCH2CH(CH3)(CMe3)]+ and [Cp2TiCH2CH(CD3)(CMe3)]+: Stark Contrasts with Their γ-SiMe3 Analogues

P. Budzelaar, M. C. Baird, Alexandre F. Dunlop-Brière, 2015 .

α- and β-Agostic Alkyl–Titanocene Complexes

P. Budzelaar, M. C. Baird, Alexandre F. Dunlop-Brière, 2012 .

A combined experimental—molecular modeling approach for ethene-propene copolymerization with C2-symmetric metallocenes

B. Wang, P. Budzelaar, B. Coussens, 2005 .

N-aryl β-diiminate complexes of the platinum metals.

P. Budzelaar, Di Zhu, 2013, Dalton transactions.

β-Diiminato Complexes of VIII and TiIII – Formation and Structure of Stable Paramagnetic Dialkylmetal Compounds

A. Orpen, P. Budzelaar, A. B. V. Oort, 1998 .

Geometry optimization using generalized, chemically meaningful constraints

Peter H. M. Budzelaar, P. Budzelaar, 2007, J. Comput. Chem..

Reaction of the Diimine Pyridine Ligand with Aluminum Alkyls: An Unexpectedly Complex Reaction

P. Budzelaar, J. Smits, Q. Knijnenburg, 2006 .

Preparation, characterization, and magnetic behavior of the ln derivatives (ln = nd, la) of a 2,6-diiminepyridine ligand and corresponding dianion.

A. Möller, P. Budzelaar, S. Gambarotta, 2004, Inorganic chemistry.

On the Nature of the Lewis Acidic Sites in “TMA‐Free” Phenol‐Modified Methylaluminoxane

A. Macchioni, C. Zuccaccia, P. Budzelaar, 2020, European Journal of Inorganic Chemistry.

BHT-Modified MAO: Cage Size Estimation, Chemical Counting of Strongly Acidic Al Sites, and Activation of a Ti-Phosphinimide Precatalyst

A. Macchioni, C. Zuccaccia, P. Budzelaar, 2019, ACS Catalysis.

Cobalt Chloride Complexes of N3 and N4 Donor Ligands

Koen F. W. Hekking, R. Gelder, P. Budzelaar, 2003 .

Ring-borylated 15-electron and 17-electron ansa-chromocene complexes, their physical properties and molecular structures.

B. Twamley, H. Weihe, P. Sinnema, 2007, Chemistry.

Chain Transfer to Solvent in Propene Polymerization with Ti Cp-phosphinimide Catalysts: Evidence for Chain Termination via Ti–C Bond Homolysis

P. Budzelaar, V. Busico, C. Ehm, 2016 .

Double and Reversible Alkyl Transfer from ZrBn4 /HfBn4 to a Diiminepyridine Ligand

David E. Herbert, P. Budzelaar, N. Rahimi, 2019, European Journal of Inorganic Chemistry.

Radical Cleavage of Al–C Bonds Promoted by Phenazine: From Noninnocent Ligand to Radical Abstractor

P. Budzelaar, S. Gambarotta, G. Nikiforov, 2012 .

Radical Mechanisms in the Reaction of Organic Halides with Diiminepyridine Cobalt Complexes

P. Budzelaar, I. Korobkov, Di Zhu, 2012 .

Radical Chemistry of Iminepyridine Ligands

P. Budzelaar, 2012 .

Reaction of AlEt2Cl with the diiminepyridine ligand: an unexpected product

P. Budzelaar, J. Smits, Q. Knijnenburg, 2004 .

Reactions of Unsaturated Compounds

W. Kaminsky, M. Arndt, Y. Chauvin, 2008 .

Reactivity Trends of Lewis Acidic Sites in Methylaluminoxane and Some of Its Modifications

A. Macchioni, C. Zuccaccia, P. Budzelaar, 2020, Inorganic chemistry.

Olefin hydrogenation using diimine pyridine complexes of Co and Rh

A. Horton, P. Budzelaar, B. Bruin, 2005 .

Tweaking the bridge in metallocene Zr(IV)/W(IV) bimetallic hydrides.

A. Macchioni, P. Budzelaar, D. Hughes, 2023, Dalton transactions.

Catalyst Mileage in Olefin Polymerization: The Peculiar Role of Toluene

P. Budzelaar, V. Busico, C. Ehm, 2018, Organometallics.

Dinitrogen activation, partial reduction, and formation of coordinated imide promoted by a chromium diiminepyridine complex.

P. Budzelaar, S. Gambarotta, J. Scott, 2007, Inorganic chemistry.

Formation and Rearrangement of Reduced Diiminepyridine Complexes of Zr and Hf

David E. Herbert, P. Budzelaar, N. Rahimi, 2018, European Journal of Inorganic Chemistry.

First-Row Transition Metal Bis(amidinate) Complexes; Planar Four- Coordination of Fe II Enforced by Sterically Demanding Aryl Substituents

C. Nijhuis, P. Budzelaar, B. Hessen, 2005 .

A second transition state for chain transfer to monomer in olefin polymerization promoted by group 4 metal catalysts.

G. Talarico, P. Budzelaar, 2006, Journal of the American Chemical Society.

Crystal structure of the novel neutral octahedral complex [(4'-(4-t-butylphenyl)-2,2':6',2''-terpyridine)RhIII(Br)(acetonyl)2]

K. Goubitz, P. Budzelaar, J. Fraanje, 2005 .

INSERTION REACTIONS INTO PALLADIUM-CARBON BONDS OF COMPLEXES CONTAINING TERDENTATE NITROGEN LIGANDS; EXPERIMENTAL AND AB INITIO MO STUDIES

A. Spek, R. Thummel, P. Budzelaar, 1998 .

On the limits of tuning comonomer affinity of 'Spaleck-type' ansa-zirconocenes in ethene/1-hexene copolymerization: a high-throughput experimentation/QSAR approach.

P. Budzelaar, V. Busico, V. V. Izmer, 2020, Dalton transactions.

Ethene trimerization at CrI/CrIII — A density functional theory (DFT) study

P. Budzelaar, 2009 .

Cyclopentadienylzinc-transition metal compounds. Structure of (C5H5Zn)2Co(C5H5)P(C6H5)3

A. Spek, P. Budzelaar, J. Boersma, 1982 .

Reactions of allylic and propargylic amines and ethers with Zn[Co(CO)4]2

P. Budzelaar, J. Boersma, H. J. Alberts-Jansen, 1982 .

Variability of Chain Transfer to Monomer Step in Olefin Polymerization

G. Talarico, P. Budzelaar, 2008 .

Synthesis of Borirenes and Diboretenes — a Novel Class of 2π‐Aromatic Compounds

P. Schleyer, P. Budzelaar, S. Kerk, 1983 .

The addition of methylborylene to acetylenes: Synthesis of 1,4-diboracyclohexa-2,5-dienes, and of a borirene and a diboretene derivative

P. Budzelaar, S. Kerk, G. J. M. Kerk, 1984 .

Dimerization of borirene to 1,4-diboracyclohexadiene: structures and stabilities of (CH)4(BH)2 molecules

P. Schleyer, K. Krogh-Jespersen, P. Budzelaar, 1986 .

Remarkable structures of C2B2H4 isomers

P. Schleyer, T. Clark, K. Krogh-Jespersen, 1985 .

Effects of boron substituents in borirenes, boriranes, and boranes. The energies of B−X bonds

A. Kos, P. Schleyer, T. Clark, 1985 .

An Extraordinary Structure and Topomerization Mechanism for “Diboramethylenecyclopropane”

K. Krogh-Jespersen, P. Budzelaar, P. V. R. Schleyer, 1984 .

Of Poisons and Antidotes in Polypropylene Catalysis.

P. Budzelaar, V. Busico, Yue Yu, 2016, Angewandte Chemie.

A Systematic Study of the Temperature-Induced Performance Decline of ansa-Metallocenes for iPP

P. Budzelaar, V. Busico, V. V. Izmer, 2020 .

Mono- and Dinuclear Olefin Reactions at Aluminum

G. Talarico, P. Budzelaar, 2002 .

C−H Bonds Are Not Elongated by Coordination to Lanthanide Metals: Single-Crystal Neutron Diffraction Structures of (C5Me5)Y(OC6H3tBu2)CH(SiMe3)2 at 20 K and (C5Me5)La{CH(SiMe3)2}2 at 15 K

L. Brammer, P. Budzelaar, W. Klooster, 1999 .

Reactions of the Ni(0) Compound Ni(PPh3)4 with Unactivated Alkyl Halides: Oxidative Addition Reactions Involving Radical Processes and Nickel(I) Intermediates

P. Budzelaar, M. C. Baird, Adeela Manzoor, 2018, Organometallics.

ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties

B. Twamley, P. Budzelaar, Ralph A. Zehnder, 2006 .

Naked (C5Me5)2M cations (M = Sc, Ti, and V) and their fluoroarene complexes.

P. Budzelaar, J. H. Teuben, M. W. Bouwkamp, 2005, Journal of the American Chemical Society.

The oxo-synthesis catalyzed by cationic palladium complexes, selectivity control by neutral ligand and anion

P. Budzelaar, E. Drent, 2000 .

[(dppp)Pd]2(SO3CF3)2: a palladium(I) dimer with side-on phosphine coordination

A. Orpen, P. V. van Leeuwen, P. Budzelaar, 1992 .

ansa-Zirconocene Catalysts for Isotactic-Selective Propene Polymerization at High Temperature: A Long Story Finds a Happy Ending.

P. Budzelaar, V. Busico, V. V. Izmer, 2021, Journal of the American Chemical Society.

Connection of Stereoselectivity, Regioselectivity, and Molecular Weight Capability in rac-R′2Si(2-Me-4-R-indenyl)2ZrCl2 Type Catalysts

P. Budzelaar, V. Busico, A. Voskoboynikov, 2018, Macromolecules.

Isocyanide insertion into Au-H bonds: first gold iminoformyl complexes.

P. Budzelaar, M. Bochmann, J. Fernandez-Cestau, 2018, Chemical communications.

Rhodium(ii) dimers without metal-metal bonds.

Christopher R Wiebe, P. Budzelaar, Di Zhu, 2015, Dalton transactions.

A Stable Three-Coordinate Rhodium(I) Olefin Complex

P. Budzelaar, A. W. Gal, A. Gelder, 1998 .

Mono- and bi-nuclear molybdenum complexes of 2,6-bis(diphenylphosphino)-N-methylaniline

A. Orpen, J. Frijns, P. Budzelaar, 1990 .

Selectivity of Metallocene-Catalyzed Olefin Polymerization: A Combined Experimental and Quantum Mechanical Study. 1. Nonchiral Bis(cyclopentadienyl) Systems

P. Budzelaar, V. Busico, S. Ronca, 2002 .

E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.

P. G. Hultin, P. Budzelaar, N. K. Chehal, 2018, Organic & biomolecular chemistry.

Calculating accurate barriers for olefin insertion and related reactions

P. Budzelaar, V. Busico, C. Ehm, 2015 .

Binuclear Oxidative Addition of Aryl Halides

P. Budzelaar, Di Zhu, 2010 .

Mono-and Dinuclear Olefin Polymerization at Aluminum

G. Talarico, P. Budzelaar, 2002 .

Olefin Polymerization at Aluminum? A Theoretical Study

P. Budzelaar, V. Busico, Giovanni Talarico† and, 2001 .

Ethene Polymerization at Cationic Aluminum Amidinate and Neutral Aluminum Alkyl. A Theoretical Study

P. Budzelaar, Giovanni Talarico† and, 2000 .

A theoretical study of the competition between ethylene insertion and chain transfer in cationic aluminum systems

V. Barone, C. Adamo, G. Talarico, 2000 .

Ethylene coordination, insertion, and chain transfer at a cationic aluminum center: A comparative study with Ab Initio correlated level and density functional methods

Giovanni Talarico, Peter H. M. Budzelaar, Anton W. Gal, 2000, J. Comput. Chem..

Bis(cyclooctene)copper(I) trifluoromethanesulfonate

A. Spek, P. Budzelaar, P. Timmermans, 1987 .

CO/Ethene Copolymerization at Zirconocene Centers?

P. Budzelaar, 2004 .

Oxidative addition reactions of [Rhi(Br)(Tpy*)] (Tpy* = 4'-(4-tert-butylphenyl)-2,2':6', 2 -terpyridine) with alkyl bromides

C. J. Elsevier, P. Budzelaar, K. Vrieze, 2004 .

Tantalum-zinc compounds - structure of (CH3C5H4)2TaH(ZnC5H5)2

P. Budzelaar, J. Boersma, A. Duisenberg, 1984 .

Rh and Ir β-Diiminate Complexes of Boranes, Silanes, Germanes, and Stannanes

Nan Zhang, P. Budzelaar, Di Zhu, 2017 .

Selectivity of Metallocene-Catalyzed Olefin Polymerization: A Combined Experimental and Quantum Mechanical Study. The ansa-Me2Si(Ind)2Zr and ansa-Me2C(Cp)(Flu)Zr Systems

P. Budzelaar, V. Busico, S. Ronca, 2003 .

Reduction of Titanium Supported by a σ-/π-Bonded Tripyrrole Ligand: Ligand C−N Bond Cleavage and Coordination of Olefin and Arene with an Inverse Sandwich Structure

P. Budzelaar, S. Gambarotta, G. Nikiforov, 2007 .

A periodic hybrid DFT approach (including dispersion) to MgCl2-supported Ziegler–Natta catalysts – 1: TiCl4 adsorption on MgCl2 crystal surfaces

M. Causà, P. Budzelaar, Raffaele Credendino, 2012 .

Reaction of magnesium hydride with pyridine

P. Budzelaar, J. Boersma, B. V. Aarssen, 1981 .

A novel type of cyclopentadienyl bridge-structure of (.mu.-C5H5)[.mu.-N(SiMe3)2](ZnC5H5)2

P. Budzelaar, J. Boersma, G. J. M. Kerk, 1984 .

Metal-Metal interactions in indium(I) and thallium(I) cyclopentadienyls†

P. Budzelaar, J. Boersma, 1990 .

The preparation of bis(pentamethylcyclopentadienyl) zinc and bis (trimethylsilylcyclopentadienyl) zinc, and their molecular structures determined by gas electron diffraction

R. Blom, A. Haaland, P. Budzelaar, 1986 .

Hydrogen sensitivity : A systematic computational study of electronic effects

P. Budzelaar, B. Coussens, Nic Friederichs, 2007 .

Fixation of CO2 by magnesium cations: a reinterpretation.

P. Budzelaar, S. Gambarotta, I. Korobkov, 2006, Angewandte Chemie.

MgCl2 -supported Ziegler-Natta catalysts: A DFT-D ‘flexible-cluster’ approach. TiCl4 and probe donor adducts

P. Budzelaar, A. Correa, V. Busico, 2018, International Journal of Quantum Chemistry.

Cp6Ni2Zn4 ― an unusually electron-rich octahedral cluster

A. Spek, P. Budzelaar, J. Boersma, 1985 .

Between T and Y: Asymmetry in the Interaction of LAu(I) with Bipy and β‐Diiminate‐like Ligands

P. Budzelaar, C. Ehm, A. Cataffo, 2021 .

Coordination and oxidative addition at a low-coordinate rhodium(I) beta-diiminate centre.

P. Budzelaar, J. Smits, R. de Gelder, 2002, Chemistry.

(C5H5)6Ni2Zn4—The First Zinc‐Containing Mixed‐Metal Cluster

P. Budzelaar, J. Boersma, G. J. M. Kerk, 1983 .

Dioxetenes and diazetines: nonaromatic 6.pi.-systems in four-membered rings

D. Cremer, P. Schleyer, P. Budzelaar, 1987 .

Synthesis and coordination chemistry of a new class of binucleating ligands: pyridyl-substituted diphosphines

A. Orpen, J. Frijns, P. Budzelaar, 1990 .

C-H and C-O bond activation with a rhodium(i) β-diiminate complex.

P. Budzelaar, G. S. Bindra, Nicolle Langer, 2014, Dalton transactions.

Steric Control over Arene Coordination toβ-Diiminate Rhodium(I) Fragments

R. Gelder, P. Budzelaar, J. Smits, 2000 .

Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C9H6PPh3, 1-C9H6PMePh2, and 1-C9H6PMe2Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η5-C5H5)(η5-PHIN)]PF6

P. Budzelaar, M. C. Baird, Shalyn L. Littlefield, 2011 .

Reaction of (C5H5)2NbH3 with (C5H5)2Zn - structure of (C5H5)2NbH2ZnC5H5

P. Budzelaar, J. Boersma, K. H. D. Haan, 1984 .

Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes

Nan Zhang, David E. Herbert, P. Budzelaar, 2018, Inorganica Chimica Acta.

Trends in Cyclopentadienyl - Main-Group-Metal Bonding

J. V. Lenthe, P. Budzelaar, J. Engelberts, 2003 .

Square-Planar–Tetrahedral Interconversion without Spin Flip in (β-diiminate)Rh(1,3-diene) Complexes

P. Budzelaar, Rebecca S. Sherbo, G. S. Bindra, 2016 .

CYCLOPENTADIENYLZINC-TRANSITION METAL COMPOUNDS

P. Budzelaar, J. Boersma, Bart L. Fischer, 1988 .

A New, Facile Route to 2‐Azaallenium Salts—Bis(2‐adamantylidene)ammonium Hexachloroantimonate

H. Beck, E. Würthwein, P. Budzelaar, 1985 .

Reactivity of cationic decamethylmetallocene complexes towards ketones

P. Budzelaar, M. W. Bouwkamp, B. Hessen, 2011 .

Modeling Polymerization Reactions at Aluminum-Based Catalysts: Is DFT a Reliable Computational Tool?

V. Barone, C. Adamo, G. Talarico, 2001 .

Reactions of cis‐2,3‐Dimethylaziridine, 3‐Pyrroline and Pyrrolidine with Me3Al and Me3Ga: Adducts and Dimeric Amides

R. Gelder, P. Hageman, P. Budzelaar, 2003 .

A density functional theory investigation of the cobalt-mediated η5-pentadienyl/alkyne [5+2] cycloaddition reaction: mechanistic insight and substituent effects.

J. Stryker, P. Budzelaar, K. E. O. Ylijoki, 2012, Chemistry.

(Diene)rhodium and -iridium complexes of pyridinophane ligands

R. Gelder, P. Budzelaar, J. Smits, 2002 .

Selective nucleophilic displacement of a methoxy group in 1,2,3-trimethoxybenzenes

P. Budzelaar, J. Doorn, 2010 .

An Introduction to Quantumchemical Organometallic Chemistry

J. V. Lenthe, P. Budzelaar, J. -. Lenthe, 1995 .

On the existence of trans-cyclohexene

J. V. Lenthe, P. Budzelaar, J. Verbeek, 1987 .

Synthesis and Ruthenium Coordination Complexes of the Chelating Phosphine Phosphonium-1-indenylide 1,1-Bis(diphenylphosphino)methane-1-indenylide,1-C9H6Ph2PCH2PPh2

Riaz Hussain, F. Sauriol, P. Budzelaar, 2012 .

Long interbridgehead bonds in acceptor-substituted bicyclobutanes

D. Cremer, E. Kraka, P. Schleyer, 1986 .

Specific and selective reduction of aromatic nitrogen heterocycles with the bis-pyridine complexes of bis(1,4-dihydro-1-pyridyl)zinc and bis(1,4-dihydro-1-pyridyl)magnesium

P. Budzelaar, J. Boersma, A. J. Koning, 1981 .

Performance of the Empirical Dispersion Corrections to Density Functional Theory: Thermodynamics of Hydrocarbon Isomerizations and Olefin Monomer Insertion Reactions.

G. Schreckenbach, P. Budzelaar, G. Shamov, 2010, Journal of chemical theory and computation.

MgCl2-Supported Ziegler–Natta Catalysts: a DFT-D “Flexible-Cluster” Approach to Internal Donor Adducts

P. Budzelaar, A. Correa, V. Busico, 2018 .

Internal Donors in Ziegler–Natta Systems: is Reduction by AlR3 a Requirement for Donor Clean‐Up?

P. Budzelaar, A. Correa, V. Busico, 2018 .

Arene C-H activation by gold(iii): solvent-enabled proton shuttling, and observation of a pre-metallation Au-arene intermediate.

P. Budzelaar, M. Bochmann, J. Fernandez-Cestau, 2017, Chemical communications.

Stereo‐ and Regioselective Alkyne Hydrometallation with Gold(III) Hydrides

P. Budzelaar, M. Bochmann, J. Fernandez-Cestau, 2016, Angewandte Chemie.

P. Budzelaar, M. Bochmann, L. Rocchigiani, 2019, Chemical science.

Cascade activation of Si-H, C-H, and Si-C bonds at a rhodium β-diiminate complex.

K. D. Enns, P. Budzelaar, Daniel J Kozera, 2012, Angewandte Chemie.

Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes

Nan Zhang, David E. Herbert, P. Budzelaar, 2018, Inorganica Chimica Acta.

A Hydrocarbon Soluble, Molecular and “Complete” Al-Cocatalyst for High Temperature Olefin Polymerization

A. Macchioni, C. Zuccaccia, P. Budzelaar, 2023, Polymers.

Structure-activity relationship in olefin polymerization catalysis: is entropy the key?

A. Macchioni, G. Ciancaleoni, P. Budzelaar, 2010, Journal of the American Chemical Society.

DFT Study of Pd(PMe3)/NMe3-Catalyzed Butadiene Telomerization of Methanol

P. Budzelaar, A. Jabri, 2011 .

Arene C-H activation by gold(iii): solvent-enabled proton shuttling, and observation of a pre-metallation Au-arene intermediate.

P. Budzelaar, M. Bochmann, L. Rocchigiani, 2017, Chemical communications.