List of publications of Dr. Nico van Eikema Hommes
2022
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25 years of NICS-much more than nothing!
In: Journal of the Serbian Chemical Society (2022)
ISSN: 0352-5139
DOI: 10.2298/JSC211203057P
2021
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Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex
In: Chemical Science 12 (2021), p. 2410-2418
ISSN: 2041-6520
DOI: 10.1039/d0sc06321e - , , , , , , , , :
The Detosylation of Chiral 1,2-Bis(tosylamides)
In: Journal of Organic Chemistry 86 (2021), p. 9163-9180
ISSN: 0022-3263
DOI: 10.1021/acs.joc.1c00359
2020
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Tautomeric Equilibria of Nucleobases in the Hachimoji Expanded Genetic Alphabet
In: Journal of Chemical Theory and Computation 16 (2020), p. 2766-2777
ISSN: 1549-9618
DOI: 10.1021/acs.jctc.9b01079
2019
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The quest for a triplet ground-state alkene: Highly twisted C═C double bonds
In: Journal of Physical Organic Chemistry 32 (2019), Article No.: e3965
ISSN: 0894-3230
DOI: 10.1002/poc.3965
2014
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HCN exchange on [Cu(HCN)(4)](+): a quantum chemical investigation
In: Journal of Coordination Chemistry 67 (2014), p. 2185-2194
ISSN: 0095-8972
DOI: 10.1080/00958972.2014.941828
2009
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The Effect of Perfluorination on the Aromaticity of Benzene and Heterocyclic Six-Membered Rings
In: Journal of Physical Chemistry A 113 (2009), p. 6789-6794
ISSN: 1520-5215
DOI: 10.1021/jp902983r
2008
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Bicyclic diironcryptates with mobile guest cations: A new class of solid ionic conductors
In: Solid State Ionics 179 (2008), p. 489-494
ISSN: 0167-2738
DOI: 10.1016/j.ssi.2008.02.060
2007
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Water exchange on seven-coordinate Mn(II) complexes with macrocyclic pentadentate ligands: Insight in the mechanism of Mn(II) SOD mimetics
In: Inorganic Chemistry 46 (2007), p. 2459-2470
ISSN: 0020-1669
DOI: 10.1021/ic061852o - , , , , , :
Ligand-exchange processes on solvated lithium cations: DMSO and water/DMSO mixtures
In: ChemPhysChem 8 (2007), p. 1315-1320
ISSN: 1439-4235
DOI: 10.1002/cphc.200600624 - , , , , , :
Ligand Exchange Processes on Solvated Lithium Cations. II. Complexation by Cryptands in γ-Butyrolactone as Solvent
In: Journal of Inclusion Phenomena and Macrocyclic Chemistry 58 (2007), p. 81-88
ISSN: 0923-0750
DOI: 10.1007/s10847-006-9125-y
2006
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Rational design of cation hosts - Prediction of cation selectivity by quantum chemical calculations
In: Zeitschrift für Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics 220 (2006), p. 511-523
ISSN: 0942-9352
DOI: 10.1524/zpch.2006.220.4.511 - , , :
Protons on tour - DFT-study of H+-migration in [1.1.1]- and [2.2.2]-cryptands
In: Zeitschrift für Naturforschung Section B-A Journal of Chemical Sciences 61 (2006), p. 1327-1334
ISSN: 0932-0776
DOI: 10.1515/znb-2006-1103 - , , , :
Quantum chemical analysis of the enantiomerisation mechanism of complexes of the type [M-II(XU)(4)]F+ (M = Pt, Pd, Ni; X = S, Se, Te; U = urea)
In: European Journal of Inorganic Chemistry (2006), p. 4063-4067
ISSN: 1434-1948
DOI: 10.1002/ejic.200600483 - , , , :
A new enantiomerization mechanism for tripodal penta-coordinate Zn-II(nta) complexes. Theoretical clarification of the observed H-1 NMR spectrum
In: Dalton Transactions (2006), p. 3392-3395
ISSN: 1477-9226
DOI: 10.1039/b602792j - , , , , :
Thermodynamic and kinetic studies on reactions of Pt(II) complexes with biologically relevant nucleophiles
In: Inorganic Chemistry 45 (2006), p. 2948-2959
ISSN: 0020-1669
DOI: 10.1021/ic051955r
2005
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Investigation of a putative Mobius aromatic hydrocarbon. The effect of benzannelation on Mobius [4n]annulene aromaticity
In: Journal of the American Chemical Society 127 (2005), p. 2425-2432
ISSN: 0002-7863
DOI: 10.1021/ja0458165 - , , , , , :
Mechanistic studies on the formation of Pt(II) hydroformylation catalysts in imidazolium-based ionic liquids
In: Journal of Organometallic Chemistry 690 (2005), p. 3567-3576
ISSN: 0022-328X
DOI: 10.1016/j.jorganchem.2005.03.029 - , , :
Evidence for interchange ligand-exchange processes on solvated beryllium cations
In: Helvetica Chimica Acta 88 (2005), p. 911-922
ISSN: 0018-019X
DOI: 10.1002/hlca.200590085 - , , , , , , , :
Influence of the conformation of salen complexes on the stereochemistry of the asymmetric epoxidation of olefins
In: European Journal of Organic Chemistry (2005), p. 2566-2574
ISSN: 1434-193X
DOI: 10.1002/ejoc.200500042 - , , , , , , , :
Experimental and theoretical approaches to the protonation of thiourea: A convenient nucleophile in coordination chemistry revisited
In: Zeitschrift für Anorganische und Allgemeine Chemie 631 (2005), p. 2812-2819
ISSN: 0044-2313
DOI: 10.1002/zaac.200500157 - , , , , :
Transition-state effects of ionic liquids in substitution reactions of Pt-II complexes
In: Angewandte Chemie International Edition 44 (2005), p. 6033-6038
ISSN: 1433-7851
DOI: 10.1002/anie.200501329 - , :
Regression formulae for ab initio and density functional calculated chemical shifts
In: Journal of Molecular Modeling 11 (2005), p. 175-185
ISSN: 1610-2940
DOI: 10.1007/s00894-004-0223-8
2004
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Deuteration effects on the vibronic structure of the fluorescence spectra and the internal conversion rates of triangular [4]phenylene
In: Physical Chemistry Chemical Physics 6 (2004), p. 5476-5483
ISSN: 1463-9076
DOI: 10.1039/b414545c - , , , , :
Evidence for associative ligand exchange processes on solvated lithium cations
In: Inorganic Chemistry 43 (2004), p. 8227-8229
ISSN: 0020-1669
DOI: 10.1021/ic0487979 - , , , , , , , , , , , :
Synthesis, structure, and dynamics of six-membered metallacoronands and metallodendrimers of iron and indium
In: Chemistry - A European Journal 10 (2004), p. 1899-1905
ISSN: 0947-6539
DOI: 10.1002/chem.200306050 - , , , , , , , :
Desymmetrisation of C-2-symmetric (2S,3S)-diazidobutane-1,4-diol with benzaldehyde
In: Tetrahedron-Asymmetry 15 (2004), p. 867-872
ISSN: 0957-4166
DOI: 10.1016/j.tetasy.2004.01.027
2003
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Shpol'skii spectroscopy and vibrational analysis of [N]phenylenes
In: Physical Chemistry Chemical Physics 5 (2003), p. 4563-4569
ISSN: 1463-9076
DOI: 10.1039/b308036f
2002
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A domino aldol addition/hemiketal formation/hemiketal formation/epimerization route to a heteroadamantane. A crystal-structure, NMR, and computational study
In: Helvetica Chimica Acta 85 (2002), p. 3828-3841
ISSN: 0018-019X
DOI: 10.1002/1522-2675(200211)85:113.0.CO;2-Z - , , :
Can bridged 1,6-X-[10]annulenes (X = SiH2, SiMe2, PH, and S) exist?
In: Organic Letters 4 (2002), p. 2393-2396
ISSN: 1523-7060
DOI: 10.1021/ol026144v
2001
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Dissected nucleus-independent chemical shift analysis of pi-aromaticity and antiaromaticity
In: Organic Letters 3 (2001), p. 2465-2468
ISSN: 1523-7060
DOI: 10.1021/ol016217v
2000
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Exploring {2}-metallacryptands and {2}-metallacryptates with quantum chemical methods - When (not only) computer chemists' dreams come true
In: Journal of Molecular Modeling 6 (2000), p. 126-132
ISSN: 0948-5023
DOI: 10.1007/s0089400060126 - , , :
Ab initio models for six-center multiple proton exchange and ion pair formation assisted by Lewis acids
In: Journal of Molecular Modeling 6 (2000), p. 563-574
ISSN: 1610-2940
1998
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Global and local aromaticity in porphyrins: An analysis based on molecular geometries and nucleus-independent chemical shifts
In: Angewandte Chemie International Edition 37 (1998), p. 177-180
ISSN: 1433-7851
DOI: 10.1002/(SICI)1521-3773(19980202)37:1/23.0.CO;2-H - , , , , :
Novel nine-membered titanaheterocycles - Structure, ab initio calculations, and preparative use towards the selective synthesis of substituted cyclopentanols
In: European Journal of Inorganic Chemistry (1998), p. 1253-1262
ISSN: 1434-1948
DOI: 10.1002/(SICI)1099-0682(199809)1998:93.0.CO;2-H
1997
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Stabilization of Atomic Nitrogen Inside C60
In: Angewandte Chemie (International Edition in English) 36 (1997), p. 2835-2838
ISSN: 0570-0833
DOI: 10.1002/anie.199728351 - , , , :
Chemistry of Convex versus Concave Carbon: The Reactive Exterior and the Inert Interior of C60
In: Journal of Molecular Modeling 3 (1997), p. 415-422
ISSN: 0948-5023
DOI: 10.1007/s008940050059 - , , , , :
An evaluation of the aromaticity of inorganic rings: Refined evidence from magnetic properties
In: Journal of the American Chemical Society 119 (1997), p. 12669-12670
ISSN: 0002-7863
DOI: 10.1021/ja9719135
1996
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The carbon-lithium electron pair bond in (CH3Li)(n) (n=1, 2, 4)
In: Organometallics 15 (1996), p. 2923-2931
ISSN: 0276-7333
DOI: 10.1021/om950966x - , , , :
[5]Pericyclynes are not homoaromatic
In: Journal of Organic Chemistry 61 (1996), p. 2826-2828
ISSN: 0022-3263
DOI: 10.1021/jo952028c - , , , , :
Nucleus-independent chemical shifts: A simple and efficient aromaticity probe
In: Journal of the American Chemical Society 118 (1996), p. 6317-6318
ISSN: 0002-7863
DOI: 10.1021/ja960582d - :
Organometallic Chemistry in the Computer, Ab-Initio/DFT Computations
In: J. Gasteiger (Ed.) (ed.): Software-Entwicklung in der Chemie 10; Software Development in Chemistry 10, Frankfurt am Main: GDCh Gesellschaft Deutscher Chemiker, 1996, p. 159-173
ISBN: 3-924763-57-7
1995
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LITHIOBORANES - A THEORETICAL-STUDY
In: Inorganic Chemistry 34 (1995), p. 607-614
ISSN: 0020-1669
DOI: 10.1021/ic00107a013
1994
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NUCLEOPHILIC RING-OPENING OF EPOXIDES BY ORGANOLITHIUM COMPOUNDS - AB-INITIO MECHANISMS
In: Journal of the American Chemical Society 116 (1994), p. 2508-2514
ISSN: 0002-7863
DOI: 10.1021/ja00085a035 - , , , , , , , , , :
ETA(3) AND ETA(6) BRIDGING CATIONS IN THE N,N,N',N'',N''-PENTAMETHYLDIETHYLENETRIAMINE-SOLVATED COMPLEXES OF BENZYLPOTASSIUM AND BENZYLRUBIDIUM - AN X-RAY, NMR, AND MO STUDY
In: Journal of the American Chemical Society 116 (1994), p. 528-536
ISSN: 0002-7863
DOI: 10.1021/ja00081a013 - , , , , :
INVERSELY COORDINATING SILANIDE IONS IN AN OLIGOMERIC SODIUM ALCOHOLATE
In: Angewandte Chemie (International Edition in English) 33 (1994), p. 216-217
ISSN: 0570-0833
DOI: 10.1002/anie.199402161 - , :
MECHANISMS OF AROMATIC LITHIATION INFLUENCE OF AGGREGATION AND DIRECTING GROUPS
In: Tetrahedron 50 (1994), p. 5903-5916
ISSN: 0040-4020
1993
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PICOLINE AND TOLUENE - A COMPARISON OF STRUCTURAL-PROPERTIES AND RELATIVE STABILITIES OF THEIR MONOLITHIATED DERIVATIVES
In: Journal of Organic Chemistry 58 (1993), p. 4424-4430
ISSN: 0022-3263
DOI: 10.1021/jo00068a043 - , , , :
ARE THE C4V COMPLEXES OF CYCLOBUTADIENE WITH CO, NO+, AND CS MINIMA
In: Chemical Physics Letters 205 (1993), p. 529-534
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)80008-D - , , , , :
IS TETRAHEDRAL H-4(2+) A MINIMUM - ANOMALOUS BEHAVIOR OF POPULAR BASIS-SETS WITH THE STANDARD P-EXPONENTS ON HYDROGEN
In: Journal of Computational Chemistry 14 (1993), p. 285-294
ISSN: 0192-8651
DOI: 10.1002/jcc.540140305 - , , :
AB-INITIO MODELS FOR MULTIPLE-HYDROGEN EXCHANGE - COMPARISON OF CYCLIC 4-CENTER AND 6-CENTER SYSTEMS
In: Journal of Computational Chemistry 14 (1993), p. 1149-1163
ISSN: 0192-8651
DOI: 10.1002/jcc.540141005
1992
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EXO,EXO-[1,3-BIS(TRIMETHYLSILYL)ALLYL]LITHIUM N,N,N',N'-TETRAMETHYLETHYLENEDIAMINE COMPLEX - CRYSTAL-STRUCTURE AND DYNAMICS IN SOLUTION
In: Journal of the American Chemical Society 114 (1992), p. 1562-1565
ISSN: 0002-7863
DOI: 10.1021/ja00031a004 - , , , , , , , :
LARGE HYPERCONJUGATIVE AND INDUCTIVE EFFECTS ON C-C-X BOND ANGLES (X = MAIN-GROUP ELEMENT) - THE CRYSTAL-STRUCTURE OF TRIETHYLBORANE AND ABINITIO INVESTIGATIONS
In: Angewandte Chemie (International Edition in English) 31 (1992), p. 314-316
ISSN: 0570-0833
DOI: 10.1002/anie.199203141 - , , , :
THE ISOMERS OF THE ACETYLENE DERIVATIVES C2LI4 - TRANSFERABLE STRUCTURAL UNITS IN HYPERLITHIATED COMPOUNDS
In: Angewandte Chemie (International Edition in English) 31 (1992), p. 1602-1603
ISSN: 0570-0833
DOI: 10.1002/anie.199216021 - , , , , , :
N-LITHIOMETHYL-N,N'N'N''-TETRAMETHYLDIETHYLENETRIAMINE - THE 1ST-ALKYLLITHIUM COMPOUND WHICH IS MONOMERIC IN HYDROCARBONS
In: Angewandte Chemie (International Edition in English) 31 (1992), p. 633-635
ISSN: 0570-0833
DOI: 10.1002/anie.199206331 - , :
KINETICALLY ENHANCED METALATION - HOW SUBSTITUENTS DIRECT ORTHO LITHIATION
In: Angewandte Chemie International Edition 31 (1992), p. 755-758
ISSN: 1433-7851 - , , :
MECHANISM OF THE ZIEGLER DILITHIOMETHANE SYNTHESIS - AN ABINITIO STUDY OF METHYLLITHIUM PYROLYSIS
In: Journal of the American Chemical Society 114 (1992), p. 1146-1151
ISSN: 0002-7863
1991
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APPLICATIONS AND EVALUATIONS OF IGLO CHEMICAL-SHIFT CALCULATIONS FOR ORGANOLITHIUM COMPOUNDS
In: Journal of the American Chemical Society 113 (1991), p. 2459-2465
ISSN: 0002-7863
DOI: 10.1021/ja00007a017 - , , :
DILITHIUM DIPHENYLMETHANEDIIDE - GENERATION, REDOX RELATIONSHIP WITH LITHIUM CHLORODIPHENYLMETHANIDE, IMPLICATION WITH REGARD TO AGGREGATION
In: Journal of the Chemical Society - Series Chemical Communications (1991), p. 438-440
ISSN: 0022-4936 - , , , :
A COMPARATIVE THEORETICAL-STUDY OF THE ALLYL ALKALI-METALS
In: Journal of Organometallic Chemistry 409 (1991), p. 307-320
ISSN: 0022-328X - , :
3-CENTER TRANSITION STRUCTURES FOR ALKENE HYDROBORATION AND ALKYLBORANE REARRANGEMENT
In: Journal of Organic Chemistry 56 (1991), p. 4074-4076
ISSN: 0022-3263
1989
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PREPARATION AND REACTIVITY OF BIS(BROMOMAGNESIO)BIS(TRIMETHYLSILYL)METHANE
In: Tetrahedron Letters 30 (1989), p. 6195-6198
ISSN: 0040-4039
DOI: 10.1016/S0040-4039(01)93340-4 - :
1,2-Dilithioethaan en derivaten van Dilithiomethaan (Dissertation, 1989)
1988
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1,2-BIS(HALOMAGNESIO) ETHANE
In: Recueil des Travaux Chimiques des Pays-Bas-Journal of the Royal Netherlands 107 (1988), p. 393-394
ISSN: 0165-0513 - , , :
1,2-DILITHIOETHANE FROM ETHYLENE AND LITHIUM
In: Angewandte Chemie (International Edition in English) 27 (1988), p. 1083-1084
ISSN: 0570-0833 - , , :
SYNTHESIS AND REACTIVITY OF BIS(TRIMETHYLSILYL)DILITHIOMETHANE
In: Tetrahedron Letters 29 (1988), p. 5237-5240
ISSN: 0040-4039
1987
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3-LITHIO-1,5-DIMETHOXYPENTANE - PROGNOSTICATION, PREPARATION, AND SOME PROPERTIES OF A DIMERIC ALKYLLITHIUM
In: Journal of the American Chemical Society 109 (1987), p. 2187-2188
ISSN: 0002-7863
DOI: 10.1021/ja00241a050 - , , :
A NEW APPROACH TO 1,2-DILITHIOETHANE - EASY PREPARATION OF DILITHIOMETHANE
In: Recueil des Travaux Chimiques des Pays-Bas-Journal of the Royal Netherlands 106 (1987), p. 514-515
ISSN: 0165-0513
1986
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X-RAY STRUCTURE OF TETRAMERIC 1-LITHIO-3-METHOXYPROPANE
In: Recueil des Travaux Chimiques des Pays-Bas-Journal of the Royal Netherlands 105 (1986), p. 398-403
ISSN: 0165-0513
DOI: 10.1002/recl.19861051014
1983
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PHOSPHORESCENCE DETECTION OF POLYCHLORONAPHTHALENES AND POLYCHLOROBIPHENYLS IN LIQUID-CHROMATOGRAPHY
In: Journal of Chromatography A 255 (1983), p. 581-590
ISSN: 0021-9673
DOI: 10.1016/S0021-9673(01)88311-4
1982
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SENSITIZED ROOM-TEMPERATURE PHOSPHORESCENCE FOR DETECTION IN CONTINUOUS-FLOW AND CHROMATOGRAPHIC SYSTEMS
In: Chromatographia 15 (1982), p. 218-222
ISSN: 0009-5893
DOI: 10.1007/BF02265650