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R. W. A. Havenith · SciRah

Researcher profile · Semantic Scholar

R. W. A. Havenith

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R. W. A. Havenith — researcher profile on SciRah

h-index: 32
Works: 127
Citations: 3,291

Most-cited papers

The GAMESS-UK electronic structure package: algorithms, developments and applications
M. Guest, I. Bush, H. V. Van Dam, P. Sherwood +4 more
2005447 citations Open access
Semantic Scholar
Consequences of N,C,N'- and C,N,N'-coordination modes on electronic and photophysical properties of cyclometalated aryl ruthenium(II) complexes.
S. Wadman, M. Lutz, D. M. Tooke, A. Spek +4 more
2009Inorganic Chemistry142 citations
Semantic Scholar
Cyclometalated Organoruthenium Complexes for Application in Dye-Sensitized Solar Cells
S. Wadman, J. Kroon, K. Bakker, R. W. A. Havenith +2 more
2010121 citations Open access
Semantic Scholar
Current Densities of Localized and Delocalized Electrons in Molecules
E. Steiner, P. Fowler, R. W. A. Havenith
2002113 citations
Semantic Scholar
Double aromaticity and ring currents in all-carbon rings.
P. Fowler, N. Mizoguchi, D. Bean, R. W. A. Havenith
2009Chemistry77 citations
Semantic Scholar
σ-Aromaticity in H3+andLi3+: Insights from ring-current maps
R. W. A. Havenith, F. De Proft, P. Fowler, P. Geerlings
200574 citations
Semantic Scholar
Current density, chemical shifts and aromaticity
P. Fowler, E. Steiner, R. W. A. Havenith, L. Jenneskens
2004Magnetic resonance in chemistry : MRC72 citations Open access
Semantic Scholar
Ring current and electron delocalisation in an all-metal cluster, Al42−
P. W. Fowler, R. W. A. Havenith, E. Steiner
200267 citations
Semantic Scholar
Stability and aromaticity of the cyclopenta-fused pyrene congeners.
R. W. A. Havenith, H. Jiao, L. Jenneskens, J. V. van Lenthe +5 more
2002Journal of the American Chemical Society66 citations Open access
Semantic Scholar
Calibration of the n-electron valence state perturbation theory approach.
R. W. A. Havenith, P. Taylor, C. Angeli, R. Cimiraglia +1 more
2004Journal of Chemical Physics64 citations Open access
Semantic Scholar
The electronic structure of inorganic benzenes: valence bond and ring-current descriptions.
J. Engelberts, R. W. A. Havenith, J. V. van Lenthe, L. Jenneskens +1 more
2005Inorganic Chemistry62 citations Open access
Semantic Scholar
2,6-Bis(oxazolinyl)phenylnickel(II) bromide and 2,6-bis(ketimine)phenylnickel(II) bromide: Synthesis, structural features, and redox properties
Marianne Stol, D. J. M. Snelders, M. D. Godbole, R. W. A. Havenith +6 more
200757 citations Open access
Semantic Scholar
Substituted 4,4′-Stilbenoid NCN-Pincer Platinum(II) Complexes. Luminescence and Tuning of the Electronic and NLO Properties and the Application in an OLED
G. D. Batema, M. Lutz, A. Spek, C. V. van Walree +10 more
200854 citations Open access
Semantic Scholar
Ipsocentric ring currents in density functional theory
R. W. A. Havenith, P. Fowler
200754 citations
Semantic Scholar
Perimeter Effects on Ring Currents in Polycyclic Aromatic Hydrocarbons: Circumcoronene and Two Hexabenzocoronenes
A. Soncini, E. Steiner, P. Fowler, R. W. A. Havenith +1 more
200352 citations Open access
Semantic Scholar
Aromaticity and antiaromaticity of LixAl4 clusters: Ring current patterns versus electron counting
R. W. A. Havenith, P. Fowler, E. Steiner, S. Shetty +2 more
200451 citations
Semantic Scholar
Redox chemistry and electronic properties of 2,3,5,6-tetrakis(2-pyridyl)pyrazine-bridged diruthenium complexes controlled by N,C,N'-biscyclometalated ligands.
S. Wadman, R. W. A. Havenith, F. Hartl, M. Lutz +3 more
2009Inorganic Chemistry49 citations Open access
Semantic Scholar
Ring currents as probes of the aromaticity of inorganic monocycles : P5-, As5-, S2N2, S3N3-, S4N3+, S4N42+, S5N5+, S42+ and Se42+.
F. De Proft, P. Fowler, R. W. A. Havenith, P. von Ragué Schleyer +2 more
2004Chemistry48 citations
Semantic Scholar
A unified orbital model of delocalised and localised currents in monocycles, from annulenes to azabora-heterocycles.
A. Soncini, C. Domene, J. Engelberts, P. Fowler +4 more
2005Chemistry47 citations Open access
Semantic Scholar
Control of the Diatropic π Ring Current in Strained Benzenes: Effects of Annelation with Cyclopropa, Cyclobuta, and Cyclobutadieno Clamping Groups
A. Soncini, R. W. A. Havenith, P. Fowler, L. Jenneskens +1 more
200247 citations Open access
Semantic Scholar
Paratropic delocalized ring currents in flattened cyclooctatetraene systems with bond alternation.
P. Fowler, R. W. A. Havenith, L. Jenneskens, A. Soncini +1 more
2002Angewandte Chemie46 citations Open access
Semantic Scholar
The origin of the ring current in the all-metal aromatic, Al(4)(2-).
R. W. A. Havenith, P. Fowler
2006Physical Chemistry, Chemical Physics - PCCP44 citations Open access
Semantic Scholar
Synthesis, Structure, and Catalytic Performance of Diastereopure Five-Coordinated NCN-Pincer Palladium(II) Complexes Bearing Bulky Amino Acid Substituents
S. Gosiewska, S. D. Herreras Martinez, M. Lutz, A. Spek +4 more
200843 citations Open access
Semantic Scholar
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.
M. Gagliardo, C. H. Amijs, M. Lutz, A. Spek +4 more
2007Inorganic Chemistry42 citations Open access
Semantic Scholar
The phenalenyl motif: a magnetic chameleon.
M. Cyranski, R. W. A. Havenith, M. Dobrowolski, Benjamin R. Gray +3 more
2007Chemistry39 citations Open access
Semantic Scholar
Supplementary Information for Identification and tunable optical coherent control of transition-metal spins in silicon carbide
T. Bosma, G. Lof, C. M. Gilardoni, O. Zwier +8 more
201838 citations
Semantic Scholar
A novel heteroditopic terpyridine-pincer ligand as building block for mono- and heterometallic Pd(II) and Ru(II) complexes.
M. Gagliardo, Gema Rodríguez, Henk H. Dam, M. Lutz +7 more
2006Inorganic Chemistry35 citations Open access
Semantic Scholar
Local and Global Paratropic and Diatropic Ring Currents in Pyrene and Its Cyclopenta‐Fused Congeners
E. Steiner, P. Fowler, L. Jenneskens, R. W. A. Havenith
200235 citations
Semantic Scholar
A comparison of approaches to estimate the resonance energy
M. Zieliński, R. W. A. Havenith, L. Jenneskens, J. V. van Lenthe
201032 citations Open access
Semantic Scholar
A Redox Asymmetric, Cyclometalated Ruthenium Dimer: Toward Upconversion Dyes in Dye-Sensitized TiO2 Solar Cells
S. Wadman, Y. V. van Leeuwen, R. W. A. Havenith, G. V. van Klink +1 more
201031 citations
Semantic Scholar
Identification and tunable optical coherent control of transition-metal spins in silicon carbide
T. Bosma, G. Lof, C. M. Gilardoni, O. Zwier +8 more
2018npj Quantum Information30 citations Open access
Semantic Scholar
A valence bond study of the σ and π aromatic species Al42
R. W. A. Havenith, J. V. van Lenthe
200429 citations
Semantic Scholar
A simple model for counter-rotating ring currents in [n]circulenes
A. Acocella, R. W. A. Havenith, E. Steiner, P. Fowler +1 more
200227 citations Open access
Semantic Scholar
Localisation and reversal of paratropic ring currents in molecules with formal anti-aromatic electron countsPresented at the ESF Exploratory Workshop: New Perspectives on Aromaticity, Exeter, UK, July 5?9, 2003.
R. W. A. Havenith, J. Engelberts, P. Fowler, E. Steiner +2 more
200426 citations Open access
Semantic Scholar
Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)3 and Os(acac)3
Marit R. Fiechter, P. A. B. Haase, N. Saleh, P. Soulard +8 more
2021Journal of Physical Chemistry Letters25 citations Open access
Semantic Scholar
Synthesis and structural characterization of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn).
Barbora Mairychová, Tomáš Svoboda, P. Štěpnička, A. Růžička +5 more
2013Inorganic Chemistry25 citations Open access
Semantic Scholar
Ring currents in a proposed system containing planar hexacoordinate carbon, CB(2-)(6).
R. W. A. Havenith, P. Fowler, E. Steiner
2002Chemistry25 citations
Semantic Scholar
Biobased Chemicals: 1,2,4-Benzenetriol, Selective Deuteration and Dimerization to Bifunctional Aromatic Compounds
Caelan Randolph, Ciaran W. Lahive, Selim Sami, R. W. A. Havenith +2 more
2018Organic Process Research & Development23 citations Open access
Semantic Scholar
Resonance and aromaticity: an ab initio valence bond approach.
Z. Rashid, J. V. van Lenthe, R. W. A. Havenith
2012Journal of Physical Chemistry A23 citations Open access
Semantic Scholar
Selective para-halogenation and dimerization of N,C,N'-arylruthenium(II) and -(III) 2,2':6',2''-terpyridine cations.
S. Wadman, R. W. A. Havenith, M. Lutz, A. Spek +2 more
2010Journal of the American Chemical Society23 citations Open access
Semantic Scholar
Comparison of ring currents evaluated consistently at density functional and Hartree–Fock levels
R. W. A. Havenith, A. Meijer, Benjamin J. Irving, P. Fowler
200922 citations Open access
Semantic Scholar
A Ruthenium(II) Complex Stabilized by a Highly Fluorinated PCP Pincer Ligand
M. Gagliardo, Preston A. Chase, M. Lutz, A. Spek +4 more
200522 citations Open access
Semantic Scholar
Substituent effects on induced current densities in penta- and heptafulvenes
R. W. A. Havenith, P. Fowler, E. Steiner
200222 citations
Semantic Scholar
TURTLE - A gradient VBSCF Program. Theory and Studies of Aromaticity
J. V. van Lenthe, F. Dijkstra, R. W. A. Havenith
200221 citations Open access
Semantic Scholar
Ring currents that survive bond alternation in constrained 8π and 6π monocycles
R. W. A. Havenith, L. Jenneskens, P. Fowler
200320 citations
Semantic Scholar
Relativistic ring currents in metallabenzenes: an analysis in terms of contributions of localised orbitals.
R. W. A. Havenith, F. De Proft, L. Jenneskens, P. Fowler
2012Physical Chemistry, Chemical Physics - PCCP19 citations
Semantic Scholar
CP-arene oxides: the ultimate, active mutagenic forms of cyclopenta-fused polycyclic aromatic hydrocarbons (CP-PAHs).
María José Otero-Lobato, V. Kaats-Richters, Carola Koper, E. Vlietstra +3 more
2005Mutation research19 citations Open access
Semantic Scholar
Ring Current Patterns in Annelated Bicyclic Polyenes
R. W. A. Havenith, F. Lugli, P. Fowler, E. Steiner
200219 citations
Semantic Scholar
Evidence from current-density mapping for σ-delocalisation in the aromatic hexaiodobenzene cation
R. W. A. Havenith, P. Fowler, Stijn Fias, P. Bultinck
200818 citations
Semantic Scholar
The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling
Ana V Cunha, R. W. A. Havenith, J. van Gog, F. de Vleeschouwer +2 more
2023Molecules17 citations Open access
Semantic Scholar

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