Publications by authors named "Heiko Jacobsen"

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The local kinetic energy profile of an inverted carbon-carbon bond reveals and refines its charge-shift character.
Heiko Jacobsen

Chemphyschem· August 2014

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More on diphosphadithiatetrazocines and the importance of being bonded.
Heiko Jacobsen

Inorg Chem· October 2013

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Electronic bond tuning with heterocyclic carbenes.
Laura Falivene, Lucia Caporaso, Luigi Cavallo, Heiko Jacobsen

Dalton Trans· May 2013

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Topology maps of bond descriptors based on the kinetic energy density and the essence of chemical bonding.
Heiko Jacobsen

Phys Chem Chem Phys· April 2013

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On the accuracy of DFT methods in reproducing ligand substitution energies for transition metal complexes in solution: the role of dispersive interactions.
Heiko Jacobsen, Luigi Cavallo

Chemphyschem· February 2012

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Catalytic deuteration of silanes mediated by N-heterocyclic carbene-Ir(III) complexes.
George C Fortman, Heiko Jacobsen, Luigi Cavallo, Steven P Nolan

Chem Commun (Camb)· September 2011

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A Failure of DFT Is Not Necessarily a DFT Failure-Performance Dependencies on Model System Choices.
Heiko Jacobsen

J Chem Theory Comput· September 2011

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A tungsten-mediated closed cycle of reactivity for the reduction of CO(2) to CO.
Upul Jayarathne, Perumalreddy Chandrasekaran, Heiko Jacobsen, Joel T Mague, James P Donahue

Dalton Trans· October 2010

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Kinetic energy density and covalent bonding - a complementary analysis at the border of bond and no bond.
Heiko Jacobsen

Dalton Trans· June 2010

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Shifting paradigms: electrostatic interactions and covalent bonding.
Heiko Jacobsen

Chemistry· January 2010

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Activation of hydrogen by palladium(0): formation of the mononuclear dihydride complex trans-[Pd(H)2(IPr)(PCy3)].
Serena Fantasia, Jonathan D Egbert, Václav Jurcík, Catherine S J Cazin, Heiko Jacobsen

Angew Chem Int Ed Engl· September 2009

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Fluorine substituent effects on dihydrogen bonding of transition metal hydrides.
Heiko Jacobsen

Phys Chem Chem Phys· September 2009

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Hypovalency--a kinetic-energy density description of a 4c-2e bond.
Heiko Jacobsen

Dalton Trans· June 2009

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Chemical bonding in view of electron charge density and kinetic energy density descriptors.
Heiko Jacobsen

J Comput Chem· May 2009

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Computational study of iron bis(dithiolene) complexes: redox non-innocent ligands and antiferromagnetic coupling.
Heiko Jacobsen, James P Donahue

Inorg Chem· November 2008

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Reversible, electrochemically controlled binding of phosphine to iron and cobalt bis(dithiolene) complexes.
Rongmin Yu, Kuppuswamy Arumugam, Ashok Manepalli, Yvon Tran, Russell Schmehl, Heiko Jacobsen

Inorg Chem· June 2007

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Dicoordinate copper(I) silanechalcogenolates.
Iliana Medina, Heiko Jacobsen, Joel T Mague, Mark J Fink

Inorg Chem· October 2006

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Dynamic processes in silyl palladium complexes: evidence for intermediate Si-H and Si-Si sigma-complexes.
Robert C Boyle, Douglas Pool, Heiko Jacobsen, Mark J Fink

J Am Chem Soc· July 2006

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P-Heterocyclic carbenes as potential ligands in the design of new metathesis catalysts. A computational study.
Heiko Jacobsen

Dalton Trans· May 2006

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Alkyl-eta2-alkene niobocene and tantalocene complexes with the allyldimethylsilyl-eta5-cyclopentadienyl ligand: synthesis, NMR studies and DFT calculations.
Pilar Nicolás, Pascual Royo, Mikhail V Galakhov, Olivier Blacque, Heiko Jacobsen

Dalton Trans· September 2004

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"Heterogreeneous" chemistry: catalysts for hydrogen production from biomass.
Heiko Jacobsen

Angew Chem Int Ed Engl· April 2004

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Toward a catalytic cycle for the Mn-salen mediated alkene epoxidation: a computational approach.
Luigi Cavallo, Heiko Jacobsen

Inorg Chem· March 2004

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Electronic effects in (salen)Mn-based epoxidation catalysts.
Luigi Cavallo, Heiko Jacobsen

J Org Chem· August 2003

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An unusual (10,3)-a racemic twofold interpenetrating network assembled from isolable tris(cyclopentadienyl)manganate and cesocene building blocks.
Sohrab Kheradmandan, Helmut W Schmalle, Heiko Jacobsen, Olivier Blacque, Thomas Fox

Chemistry· June 2002

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Formation of cyclodimeric (sp(2)-C(1))-bridged Cp/-oxido ("CpC(1)O"M(IV)X(2)) group 4 metal Ziegler-Natta catalyst systems--how important is the "constrained geometry" effect?
Klaus Kunz, Gerhard Erker, Gerald Kehr, Roland Fröhlich, Heiko Jacobsen

J Am Chem Soc· April 2002

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