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Remco Havenith

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W P Oziminski; Marcin Palusiak; J Dominikowska; C M Gibson; Remco W A Havenith; Tadeusz M Krygowski; Patrick W Fowler
Capturing the elusive aromaticity of bicalicene.
Barbora Mairychová; Aleš Růžička; Tomáš Svoboda; Frank De Proft; Petr Štěpnička; Mercedes Alonso; Remco W A Havenith; Roman Jambor; Libor Dostál
Synthesis and structural characterization of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn).
Remco W A Havenith; Leonardus W Jenneskens; Frank De Proft; Patrick W Fowler
Relativistic ring currents in metallabenzenes: an analysis in terms of contributions of localised orbitals.

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All Publications

2013: W P Oziminski; Marcin Palusiak; J Dominikowska; C M Gibson; Remco W A Havenith; Tadeusz M Krygowski; Patrick W Fowler
Capturing the elusive aromaticity of bicalicene.
Physical chemistry chemical physics : PCCP 2013;15(9):3286-93.
2013: Barbora Mairychová; Aleš Růžička; Tomáš Svoboda; Frank De Proft; Petr Štěpnička; Mercedes Alonso; Remco W A Havenith; Roman Jambor; Libor Dostál
Synthesis and structural characterization of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn).
Inorganic chemistry 2013;52(3):1424-31.
2012: Remco W A Havenith; Leonardus W Jenneskens; Frank De Proft; Patrick W Fowler
Relativistic ring currents in metallabenzenes: an analysis in terms of contributions of localised orbitals.
Physical chemistry chemical physics : PCCP 2012;14(28):9897-905.
2012: Zahid Rashid; Joop H van Lenthe; Remco W A Havenith
Resonance and aromaticity: an ab initio valence bond approach.
The journal of physical chemistry. A 2012;116(19):4778-88.
2011: Leonardus W Jenneskens; Alessandro Soncini; Remco W A Havenith; Patrick W Fowler
Aromaticity of strongly bent benzene rings: persistence of a diatropic ring current and its shielding cone in [5]paracyclophane.
Physical chemistry chemical physics : PCCP 2011;13(37):16861-6.
2010: Paulus J Knijn; P Jan M van Bentum; Ernst R H Van-Eck; Changming Fang; Dennis L A G Grimminck; Robert A de Groot; Remco W A Havenith; Martijn Marsman; W Leo Meerts; Gilles A de Wijs; Arno P M Kentgens
A solid-state NMR and DFT study of compositional modulations in Al(x)Ga(1-x)As.
Physical chemistry chemical physics : PCCP 2010;12(37):11517-35.
2010: Sipke H Wadman; Remco W A Havenith; Martin Lutz; Anthony L Spek; Gerard P M van Klink; Gerard van Koten
Selective para-halogenation and dimerization of N,C,N'-arylruthenium(II) and -(III) 2,2':6',2''-terpyridine cations.
Journal of the American Chemical Society 2010;132(6):1914-24.
2009: Patrick W Fowler; Noriyuki Mizoguchi; David E Bean; Remco W A Havenith
Double aromaticity and ring currents in all-carbon rings.
Chemistry (Weinheim an der Bergstrasse, Germany) 2009;15(28):6964-72.
2009: Sipke H Wadman; Remco W A Havenith; Frantisek Hartl; Martin Lutz; Anthony L Spek; Gerard P M van Klink; Gerard van Koten
Redox chemistry and electronic properties of 2,3,5,6-tetrakis(2-pyridyl)pyrazine-bridged diruthenium complexes controlled by N,C,N'-biscyclometalated ligands.
Inorganic chemistry 2009;48(13):5685-96.
2009: Sipke H Wadman; Martin Lutz; Duncan M Tooke; Anthony L Spek; Frantisek Hartl; Remco W A Havenith; Gerard P M van Klink; Gerard van Koten
Consequences of N,C,N'- and C,N,N'-coordination modes on electronic and photophysical properties of cyclometalated aryl ruthenium(II) complexes.
Inorganic chemistry 2009;48(5):1887-900.
2007: Marcella Gagliardo; Catelijne H M Amijs; Martin Lutz; Anthony L Spek; Remco W A Havenith; Frantisek Hartl; Gerard P M van Klink; Gerard van Koten
Diorganoruthenium complexes incorporating noninnocent [C(6)H(2)(CH(2)ER(2))(2)-3,5](2)(2-) (E = N, P) bis-pincer bridging ligands: synthesis, spectroelectrochemistry, and DFT studies.
Inorganic chemistry 2007;46(26):11133-44.
2007: Remco W A Havenith; Cornelis A van Walree; Alwin W Marsman; Joop H van Lenthe; Leonardus W Jenneskens
Weak distance dependence of through-bond interactions in tetrahydro-4H-thiopyran-4-ylidene end-capped oligo(cyclohexylidenes); a computational survey.
Physical chemistry chemical physics : PCCP 2007;9(11):1312-7.
2007: Remco W A Havenith; Joop H van Lenthe; Leonardus W Jenneskens; Jeroen J Engelberts
On the interpretation of valence bond wavefunctions.
Faraday discussions 2007;135():299-308; discussion 367-401, 503-6.
2007: Michał K Cyrański; Remco W A Havenith; Michał A Dobrowolski; Benjamin R Gray; Tadeusz M Krygowski; Patrick W Fowler; Leonardus W Jenneskens
The phenalenyl motif: a magnetic chameleon.
Chemistry (Weinheim an der Bergstrasse, Germany) 2007;13(8):2201-7.
2006: Remco W A Havenith; Patrick W Fowler
The origin of the ring current in the all-metal aromatic, Al(4)(2-).
Physical chemistry chemical physics : PCCP 2006;8(29):3383-6.
2006: Remco W A Havenith
Electric and magnetic properties computed for valence bond structures: is there a link between pauling resonance energy and ring current?
The Journal of organic chemistry 2006;71(9):3559-63.
2006: Remco W A Havenith; Patrick W Fowler; Leonardus W Jenneskens
Persistence of paratropic ring currents in nonplanar, tub-shaped geometries of 1,3,5,7-cyclooctatetraene.
Organic letters 2006;8(7):1255-8.
2006: Marcella Gagliardo; Gema Rodríguez; Henk H Dam; Martin Lutz; Anthony L Spek; Remco W A Havenith; Paolo Coppo; Luisa De Cola; Frantisek Hartl; Gerard P M van Klink; Gerard van Koten
A novel heteroditopic terpyridine-pincer ligand as building block for mono- and heterometallic Pd(II) and Ru(II) complexes.
Inorganic chemistry 2006;45(5):2143-55.
2005: Jeroen J Engelberts; Remco W A Havenith; Joop H van Lenthe; Leonardus W Jenneskens; Patrick W Fowler
The electronic structure of inorganic benzenes: valence bond and ring-current descriptions.
Inorganic chemistry 2005;44(15):5266-72.
2005: Remco W A Havenith; Joop H van Lenthe; Leonardus W Jenneskens
An ab initio valence bond study on cyclopenta-fused naphthalenes and fluoranthenes.
The Journal of organic chemistry 2005;70(11):4484-9.
2005: María José Otero-Lobato; Veronica E M Kaats-Richters; Carola Koper; Edward J Vlietstra; Remco W A Havenith; Leonardus W Jenneskens; Willem Seinen
CP-arene oxides: the ultimate, active mutagenic forms of cyclopenta-fused polycyclic aromatic hydrocarbons (CP-PAHs).
Mutation research 2005;581(1-2):115-32.
2005: Alessandro Soncini; Carmen Domene; Jeroen J Engelberts; Patrick W Fowler; André Rassat; Joop H van Lenthe; Remco W A Havenith; Leonardus W Jenneskens
A unified orbital model of delocalised and localised currents in monocycles, from annulenes to azabora-heterocycles.
Chemistry (Weinheim an der Bergstrasse, Germany) 2005;11(4):1257-66.
2004: María José Otero-Lobato; Veronica E M Kaats-Richters; Remco W A Havenith; Leonardus W Jenneskens; Willem Seinen
Di-epoxides of the three isomeric dicyclopenta-fused pyrenes: ultimate mutagenic active agents.
Mutation research 2004;564(1):39-50.
2004: Patrick W Fowler; Erich Steiner; Remco W A Havenith; Leonardus W Jenneskens
Current density, chemical shifts and aromaticity.
Magnetic resonance in chemistry : MRC 2004;42 Spec no():S68-78.
2004: Remco W A Havenith; Leonardus W Jenneskens; Patrick W Fowler; Alessandro Soncini
Which pi-clamped conjugated monocycles exhibit ring currents?
Organic & biomolecular chemistry 2004;2(9):1281-6.
2004: Remco W A Havenith; Peter R Taylor; Celestino Angeli; Renzo Cimiraglia; Kenneth Ruud
Calibration of the n-electron valence state perturbation theory approach.
The Journal of chemical physics 2004;120(10):4619-25.
2004: Frank De Proft; Patrick W Fowler; Remco W A Havenith; Paul von Ragué Schleyer; Gregory Van Lier; Paul Geerlings
Ring currents as probes of the aromaticity of inorganic monocycles : P5-, As5-, S2N2, S3N3-, S4N3+, S4N42+, S5N5+, S42+ and Se42+.
Chemistry (Weinheim an der Bergstrasse, Germany) 2004;10(4):940-50.
2003: Remco W A Havenith; Leonardus W Jenneskens; Patrick W Fowler; Erich Steiner
The diatropic sigma ring currents of [pi2s + pi2s + pi2s] pericyclic transition states.
Chemical communications (Cambridge, England) 2003;(6):748-9.
2002: Alessandro Soncini; Remco W A Havenith; Patrick W Fowler; Leonardus W Jenneskens; Erich Steiner
Control of the diatropic pi ring current in strained benzenes: effects of annelation with cyclopropa, cyclobuta, and cyclobutadieno clamping groups.
The Journal of organic chemistry 2002;67(14):4753-8.
2002: Patrick W Fowler; Remco W A Havenith; Leonardus W Jenneskens; Alessandro Soncini; Erich Steiner
Paratropic delocalized ring currents in flattened cyclooctatetraene systems with bond alternation.
Angewandte Chemie (International ed. in English) 2002;41(9):1558-60.
2002: Remco W A Havenith; Haijun Jiao; Leonardus W Jenneskens; Joop H van Lenthe; Martin Sarobe; Paul von Ragué Schleyer; Masahiro Kataoka; Atena Necula; Lawrence T Scott
Stability and aromaticity of the cyclopenta-fused pyrene congeners.
Journal of the American Chemical Society 2002;124(10):2363-70.
2002: Remco W A Havenith; Patrick W Fowler; Erich Steiner
Ring currents in a proposed system containing planar hexacoordinate carbon, CB(2-)(6).
Chemistry (Weinheim an der Bergstrasse, Germany) 2002;8(5):1068-73.
2001: Patrick W Fowler; Remco W A Havenith; Leonardus W Jenneskens; Alessandro Soncini; Erich Steiner
Survival and extinction of delocalized ring currents in clamped benzenes.
Chemical communications (Cambridge, England) 2001;(22):2386-7.
1998: Marcel J de Groot; Remco W A Havenith; H Maarten Vinkers; R Zwaans; Nico P E Vermeulen; Joop H van Lenthe
Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s.
Journal of computer-aided molecular design 1998;12(2):183-93.