Spin-coupled theory for 'N electrons in M orbitals' active spaces.

The journal of physical chemistry. A 20120705

A slipped multi-decker zirconium complex with an η7:η2-bridging cycloheptatrienyl ligand.

Chemical communications (Cambridge, England) 20120704

Surface acoustic wave nebulization produces ions with lower internal energy than electrospray ionization.

Journal of the American Society for Mass Spectrometry 20120601

Influence of anion on the quadratic nonlinearity and depolarization ratios of scattered second harmonic light from cation-π complexes.

The Journal of chemical physics 20120521

Benzylium versus tropylium ion dichotomy: vibrational spectroscopy of gaseous C8H9+ ions.

Angewandte Chemie (International ed. in English) 20120514

Reversible and irreversible higher-order cycloaddition reactions of polyolefins with a multiple-bonded heavier group 13 alkene analogue: contrasting the behavior of systems with π-π, π-π*, and π-n+ frontier molecular orbital symmetry.

Journal of the American Chemical Society 20120425

Molybdenum 1,4-diazabuta-1,3-diene tricarbonyl solvento complexes revisited: from solvatochromism to attractive ligand-ligand interaction.

Inorganic chemistry 20120416

Isomerization and dissociation of n-butylbenzene radical cation.

The journal of physical chemistry. A 20120202

A bis(heptafulvenyl)-dicyanoethylene thermoswitch with two sites for ring closure.

Organic letters 20120106

Synthesis and characterization of privileged monodentate phosphoramidite ligands and chiral Brønsted acids derived from d-mannitol.

International journal of molecular sciences 20120101

Double ionization of cycloheptatriene and the reactions of the resulting C7H(n)2+ dications (n = 6, 8) with xenon.

Physical chemistry chemical physics : PCCP 20111107

Interception of a Rautenstrauch intermediate by alkynes for [5+2] cycloaddition: rhodium-catalyzed cycloisomerization of 3-acyloxy-4-ene-1,9-diynes to bicyclo[5.3.0]decatrienes.

Angewandte Chemie (International ed. in English) 20110822

Reduction of benzylidene dibenzo[a,d]cycloheptenes: over-reduction of antiaromatic dianions to aromatic tetraanions.

The Journal of organic chemistry 20110715

Nitrenes, carbenes, diradicals, and ylides. Interconversions of reactive intermediates.

Accounts of chemical research 20110621

Synthesis of novel molecular probes inspired by harringtonolide.

Organic & biomolecular chemistry 20110621

Metalloradical-catalyzed rearrangement of cycloheptatrienyl to benzyl.

Chemical communications (Cambridge, England) 20110428

On the benzylium/tropylium ion dichotomy: electronic absorption spectra in neon matrices.

Angewandte Chemie (International ed. in English) 20110321

Synthesis, spectroscopy and electronic structure of the vinylidene and alkynyl complexes [W(C=CHR)(dppe)(η-C₇H₇)](+) and [W(C≡CR)(dppe)(η-C₇H₇](n+) (n = 0 or 1).

Dalton transactions (Cambridge, England : 2003) 20110214

Tropylium ion mediated α-cyanation of amines.

Journal of the American Chemical Society 20110209

Highly selective cobalt-mediated [6 + 2] cycloaddition of cycloheptatriene and allenes.

Organic letters 20110121

Dications of 3-phenyl-indenylidene dibenzo[a.d]cycloheptene: the role of charge in the antiaromaticity of cationic systems.

The Journal of organic chemistry 20110121

Gold-catalyzed naphthalene functionalization.

Beilstein journal of organic chemistry 20110101

Valence isomerization of cyclohepta-1,3,5-triene and its heteroelement analogues.

Beilstein journal of organic chemistry 20110101

Desymmetrization of 7-dimethylphenylsilylcycloheptatriene. Towards the synthesis of new aminocycloheptitols.

Organic & biomolecular chemistry 20101221

Experimental observation of spin delocalisation onto the aryl-alkynyl ligand in the complexes [Mo(C≡CAr)(Ph2PCH2CH2PPh2)(η-C7H7)]+ (Ar = C6H5, C6H4-4-F; C7H7 = cycloheptatrienyl): an EPR and ENDOR investigation.

Dalton transactions (Cambridge, England : 2003) 20101221

Decolorization and biodegradation of Reactive Blue 13 by Proteus mirabilis LAG.

Journal of hazardous materials 20101215

Ab initio study of the pathways and barriers of tricyclo[4.1.0.0(2,7)]heptene isomerization.

The journal of physical chemistry. A 20101104

Energy-dependent dissociation of benzylpyridinium ions in an ion-trap mass spectrometer.

Journal of mass spectrometry : JMS 20101101

Synthesis and reactivity of boron-, silicon-, and tin-bridged ansa-cyclopentadienyl-cycloheptatrienyl titanium complexes (troticenophanes).

Chemistry (Weinheim an der Bergstrasse, Germany) 20101011

Assessing the superelectrophilic dimension through sigma-complexation, SNAr and Diels-Alder reactivity.

Organic & biomolecular chemistry 20100521

Effect of pnictogen ligand substitution on a tripalladium ditropylium core.

Inorganic chemistry 20100503

Hydride transfer reactions via ion-neutral complex: fragmentation of protonated N-benzylpiperidines and protonated N-benzylpiperazines in mass spectrometry.

Journal of mass spectrometry : JMS 20100501

Electronic delocalization, energetics, and optical properties of tripalladium ditropylium halides, [Pd(3)(C(7)H(7))(2)X(3)](1-) (X = Cl(-), Br(-), and I(-)).

The journal of physical chemistry. A 20100422

2-(Naphthalen-2-yl)azulene.

Acta crystallographica. Section E, Structure reports online 20100301

Kinetics of the cyclopentadienyl + acetylene, fulvenallene + H, and 1-ethynylcyclopentadiene + H reactions.

The journal of physical chemistry. A 20100218

Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site.

Structure (London, England : 1993) 20091209

Investigations of the fragmentation pathways of benzylpyridinium ions under ESI/MS conditions.

Journal of mass spectrometry : JMS 20091201

Correlations between carbene and carbenium stability: ab initio calculations on substituted phenylcarbenes, nonbenzenoid arylcarbenes, heteroatom-substituted carbenes, and the corresponding carbocations and hydrogenation products.

The Journal of organic chemistry 20090807

Magnetically induced current densities in aromatic, antiaromatic, homoaromatic, and nonaromatic hydrocarbons.

The journal of physical chemistry. A 20090730

Striking structural transformation from cyclic oligosaccharide to aromatic series by means of the effect of lithium carbonate based on gas chromatography coupled to time-of-flight mass spectrometry.

The journal of physical chemistry. B 20090702

Exploring the reactivity of Ru-based metathesis catalysts with a pi-acid ligand trans to the Ru-ylidene bond.

Journal of the American Chemical Society 20090701

Carbon nucleophilicities of indoles in S(N)Ar substitutions of superelectrophilic 7-chloro-4,6-dinitrobenzofuroxan and -benzofurazan.

The Journal of organic chemistry 20090501

Monomers and polymers of tripalladium(0) ditropylium halides.

Inorganic chemistry 20090406

William von Eggers Doering's many research achievements during the first 65 years of his career in chemistry.

Accounts of chemical research 20090120

Theoretical and experimental study of tropylium formation from substituted benzylpyridinium species.

Journal of mass spectrometry : JMS 20090101

Secondary interactions in phosphane-functionalized group 4 cycloheptatrienyl-cyclopentadienyl sandwich complexes.

Chemistry (Weinheim an der Bergstrasse, Germany) 20090101

Bis(η-cyclo-hepta-trien-yl)tri-μ-hydrido-dimolybdenum(0,I).

Acta crystallographica. Section E, Structure reports online 20090101

Chromium(0)-promoted [6pi + 2pi] cycloadditions of allenes with cycloheptatriene.

Organic letters 20081218

Dicarbon-yl[2-hydr-oxy-3,5,7-tris-(mor-pho-linomethyl)cyclo-hepta-2,4,6-trien-onato(1-)-κO,O]rhodium(I).

Acta crystallographica. Section E, Structure reports online 20081201

Mono(cycloheptatrienyl) tantalum chemistry: synthesis and characterization of new tantalum halide, hydride, and alkyl species.

Inorganic chemistry 20081117

Dianion and dication of tetrabenzo[5.7]fulvalene. Greater antiaromaticity than aromaticity in comparable systems.

Journal of the American Chemical Society 20081105

Homobenzene: homoaromaticity and homoantiaromaticity in cycloheptatrienes.

The journal of physical chemistry. A 20081023

Natural products as an inspiration in the diversity-oriented synthesis of bioactive compound libraries.

Natural product reports 20080801

The kinetics of competing multiple-barrier unimolecular dissociations of o-, m-, and p-chlorotoluene radical cations.

The journal of physical chemistry. A 20080731

Synthesis and reactivity of functionalized cycloheptatrienyl-cyclopentadienyl sandwich complexes.

Chemical communications (Cambridge, England) 20080721

Reductive coupling of metal triangles in sandwich complexes.

Journal of the American Chemical Society 20080709

Competing ion decomposition channels in matrix-assisted laser desorption ionization.

The journal of physical chemistry. B 20080612

Rearrangement and hydrogen scrambling pathways of the toluene radical cation: a computational study.

The journal of physical chemistry. A 20080522

Theoretical study of the novel sandwich compound [Au3Cl3Tr 2]2+.

Journal of molecular modeling 20080501

Efficient approach for the comprehensive detection of unknown anabolic steroids and metabolites in human urine by liquid chromatography-electrospray-tandem mass spectrometry.

Analytical chemistry 20080301

Computational investigation of the Jahn-Teller effect in the ground and excited electronic states of the tropyl radical. Part I. Theoretical calculation of spectroscopically observable parameters.

The Journal of chemical physics 20080227

Experimental investigation of the Jahn-Teller effect in the ground and excited electronic states of the tropyl radical. Part II. Vibrational analysis of the A 2E'3-X 2E'2 electronic transition.

The Journal of chemical physics 20080227

Prototropic rearrangements in cycloheptatrienyl PCP pincer iridium complexes.

Dalton transactions (Cambridge, England : 2003) 20080128

Synthesis and characterization of the cycloheptatrienyl tantalum 'mixed-sandwich' compounds (c5r5)ta(c7h7).

Inorganic chemistry 20080121

Computational studies of the tropone natural products, thiotropocin, tropodithietic acid, and troposulfenin. Significance of thiocarbonyl-enol tautomerism.

The Journal of organic chemistry 20080104

PtCl2-catalyzed [6+2] cycloaddition of alkynes tethered to cycloheptatriene.

Angewandte Chemie (International ed. in English) 20080101

Dioxadiazuliporphyrin: a near-IR redox switchable chromophore.

The Journal of organic chemistry 20071207

Gallepins. Neutral gallium analogues of the tropylium ion: synthesis, structure, and aromaticity.

Journal of the American Chemical Society 20071107

Eicosapentaenoic acid enrichment from sardine oil by argentation chromatography.

Journal of agricultural and food chemistry 20070905

Ansa [1]trochrocenophanes and their related unstrained 1,1'-disubstituted counterparts: synthesis and electronic structure.

Journal of the American Chemical Society 20070718

A solid state 13C NMR, crystallographic, and quantum chemical investigation of phenylalanine and tyrosine residues in dipeptides and proteins.

Journal of the American Chemical Society 20070613

A theoretical study of anion-pi interactions in seven-membered rings.

Chemphyschem : a European journal of chemical physics and physical chemistry 20070604

Conversion of C5 into C6 cyclic species through the formation of C7 intermediates.

The journal of physical chemistry. A 20070517

Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame.

The journal of physical chemistry. A 20070517

Direct estimate of conjugation and aromaticity in cyclic compounds with the EDA method.

Faraday discussions 20070101

Analysis of polycyclic aromatic hydrocarbons by liquid chromatography/tandem mass spectrometry using atmospheric pressure chemical ionization or electrospray ionization with tropylium post-column derivatization.

Rapid communications in mass spectrometry : RCM 20070101

Isomerization pathways from the norbornadiene to the cycloheptatriene radical cation by opening a bridgehead-methylene bond: a theoretical investigation.

Organic & biomolecular chemistry 20061121

Capillary electrochromatography coupled to atmospheric pressure photoionization mass spectrometry for methylated benzo[a]pyrene isomers.

Analytical chemistry 20061001

Discrete sandwich compounds of monolayer palladium sheets.

Science (New York, N.Y.) 20060825

Sterically crowded azulene-based dication salts as novel guests: synthesis and complexation studies with crown ethers and calixarenes in solution and in the gas phase.

Organic & biomolecular chemistry 20060821

IR spectroscopic features of gaseous C7H7O+ ions: benzylium versus tropylium ion structures.

The journal of physical chemistry. A 20060803

Tropolactones A-D, four meroterpenoids from a marine-derived fungus of the genus Aspergillus.

Phytochemistry 20060801

Popular theoretical methods predict benzene and arenes to be nonplanar.

Journal of the American Chemical Society 20060726

Dissociation routes of protonated toluene probed by infrared spectroscopy in the gas phase.

The journal of physical chemistry. A 20060713

Novel metal-free hydrogenation of the carbon-carbon double bond in azulenoid enones by use of cycloheptatriene and protic acid.

Organic letters 20060706

Tropene derivatives by sequential intermolecular and transannular, intramolecular palladium-catalyzed hydroamination of cycloheptatriene.

Journal of the American Chemical Society 20060628

Dissociation of toluene cation: a new potential energy surface.

The journal of physical chemistry. A 20060622

Dynamics in host-guest complexes of molecular tweezers and clips.

Chemistry (Weinheim an der Bergstrasse, Germany) 20060208

Theory of damped quantum rotation in NMR spectra. I. Fundamental aspects.

The Journal of chemical physics 20051122

Electrophilic behavior of the pi delocalized azepinium ion: Friedel-Crafts reactions with benzenes and five-membered aromatic heterocycles.

Organic letters 20051110

Novel synthesis of benzalacetone analogues of naphth[a]azulenes by intramolecular tropylium ion-mediated furan ring-opening reaction and X-ray investigation of a naphth[1,2-a]azulene derivative.

The Journal of organic chemistry 20051028

Dithiadiazuliporphyrin: facile generation of carbaporphyrinoid cation radical and dication.

Journal of the American Chemical Society 20050928

Concise synthesis of novel oxa-bridged compounds.

The Journal of organic chemistry 20050916

Ranking the reactivity of superelectrophilic heteroaromatics on the electrophilicity scale.

The Journal of organic chemistry 20050805

First cobalt(I)-catalyzed [6 + 2] cycloadditions of cycloheptatriene with alkynes.

Organic letters 20050609

Synthesis, characterization, and complexation of tetraarylborates with aromatic cations and their use in chemical sensors.

Chemistry (Weinheim an der Bergstrasse, Germany) 20050318

Synthesis, spectroscopy, and reactivity of meso-unsubstituted azuliporphyrins and their heteroanalogues. Oxidative ring contractions to carba-, oxacarba-, thiacarba-, and selenacarbaporphyrins.

The Journal of organic chemistry 20041210

Asymmetric synthesis of deoxypolypropionate units via stereoselective hydrogenation of optically active cycloheptatriene.

Organic letters 20041125

Tropiporphyrins, cycloheptatrienyl analogues of the porphyrins: synthesis, spectroscopy, chemistry, and structural characterization of a silver(III) derivative.

The Journal of organic chemistry 20041112

Benzene-templated hydrothermal synthesis of metal-organic frameworks with selective sorption properties.

Chemistry (Weinheim an der Bergstrasse, Germany) 20041025

A photoswitchable rotaxane with a folded molecular thread.

Chemistry (Weinheim an der Bergstrasse, Germany) 20040719

Novel synthesis and oxidizing ability of tropylium ions annulated with two 2,4-dimethylfuro[2,3-d]pyrimidine-1(2H),3(4H)-diones.

The Journal of organic chemistry 20040709

An efficient novel synthesis of beta-(azuleno[1,2-b]benzothienyl)- and beta-(azuleno[2,1-b]benzothienyl)-alpha,beta-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative.

Organic & biomolecular chemistry 20040507

Synthesis and isolation of polytrityl cations by utilizing hexaphenylbenzene and tetraphenylmethane scaffolds.

The Journal of organic chemistry 20040305

Cycloadditions of 2-azaallyllithium species with conjugated polyenes.

The Journal of organic chemistry 20040220

Carbaporphyrinoid chemistry has a silver lining! silver(III) oxybenzi-, oxynaphthi-, tropi-, and benzocarbaporphyrins.

Organic letters 20040219

Robin Ganellin gives his views on medicinal chemistry and drug discovery. Interview by Stephen L. Carney.

Drug discovery today 20040215

Mono- and dinuclear molybdenum complexes with sterically demanding cycloheptatrienyl ligands.

Dalton transactions (Cambridge, England : 2003) 20040207

Quadricyclane radical cation rearrangements: a computational study of the transformations to 1,3,5-cycloheptatriene and norbornadiene.

Chemistry (Weinheim an der Bergstrasse, Germany) 20040206

The rearrangement of dicarboranyl methyl cation: a possible synthetic strategy toward cationic closo-tricarbaboranes.

Inorganic chemistry 20031201

Stabilized and destabilized carbocations in the 1,6-methano[10]annulene series.

The Journal of organic chemistry 20031031

A theoretical (DFT, GIAO-NMR, NICS) study of the carbocations and oxidation dications from azulenes, homoazulene, benzazulenes, benzohomoazulenes, and the isomeric azulenoazulenes.

Organic & biomolecular chemistry 20030907

Solvent-stabilized molecular capsules.

The Journal of organic chemistry 20030822

Synthesis, stability and bonding situation of tris-, bis- and mono[9-(azuleno[1,2-b]thienyl)]methyl cations.

Organic & biomolecular chemistry 20030721

A cornucopia of cycloadducts: theoretical predictions of the mechanisms and products of the reactions of cyclopentadiene with cycloheptatriene.

Journal of the American Chemical Society 20030709

Compensation of steric demand by cation-pi interactions, cobaltocenium cations as guests in tetraurea calix[4]arene dimers.

Organic & biomolecular chemistry 20030607

Contrasting diastereofacial selectivity associated with N-phenyltriazolinedione cycloadditions to oxaspirocycloheptatrienes.

Organic letters 20030123

How constant are Ritchie's 'constant selectivity relationships'? A general reactivity scale for n-, pi-, and sigma-nucleophiles.

Journal of the American Chemical Society 20030108

A ring walk of methylene groups in toluene radical cations. An extension of the toluene-cycloheptatriene rearrangement of aromatic radical cations. Theory and experiment.

European journal of mass spectrometry (Chichester, England) 20030101

Fragmentation mechanisms of protonated benzylamines. Electrospray ionisation-tandem mass spectrometry study and ab initio molecular orbital calculations.

European journal of mass spectrometry (Chichester, England) 20030101

The gas-phase basicity and proton affinity of 1,3,5-cycloheptatriene--energetics, structure and interconversion of dihydrotropylium ions.

European journal of mass spectrometry (Chichester, England) 20030101

[2 + 2] cross coupling of benzene and tropylium ligands in reductively activated piano stool complexes of Mn, Cr, and W.

Journal of the American Chemical Society 20021218

Carbene and nitrene rearrangements: a theoretical study of cyclic allenes and carbenes, carbodiimides, and azirines.

The Journal of organic chemistry 20021213

Alkynyliodonium salts in organic synthesis. Application to the total synthesis of the tropoloisoquinoline alkaloid pareitropone.

Journal of the American Chemical Society 20021002

Cycloadditions of nonstabilized 2-azaallyllithiums with cycloheptatriene.

Organic letters 20020905

High-nuclearity sulfide-rich molybdenum[bond]iron[bond]sulfur clusters: reevaluation and extension.

Inorganic chemistry 20020617

Highly stereoselective protonation of the enolate of a bicyclic cycloheptatrienyl lactone occurs on the hindered face.

Organic letters 20020613

A comprehensive investigation of the chemistry and basicity of a parent amidoruthenium complex.

Journal of the American Chemical Society 20020501

Photoisomerization and photodissociation of toluene in molecular beam.

Journal of the American Chemical Society 20020417

Theoretical study on chlorine and hydrogen shift in cycloheptatriene and cyclopentadiene derivatives.

The Journal of organic chemistry 20020208

Molybdenum complexes with linked cycloheptatrienyl-phenolate ligands.

Inorganic chemistry 20020114

The closo-[Sn9M(CO)314- Zintl ion clusters where M = Cr, Mo, W: two structural isomers and their dynamic behavior.

Chemistry (Weinheim an der Bergstrasse, Germany) 20011217

Hydrogen-bonded capsules in polar, protic solvents.

Chemical communications (Cambridge, England) 20011121

First observation of clusters for solvated tropylium ions.

Chemical communications (Cambridge, England) 20010921

Polyhedral-based nonlinear optical materials. 2. Theoretical investigation of some new high nonlinear optical response compounds involving polyhedral bridges with charged aromatic donors and acceptors.

Inorganic chemistry 20010702

Polyhedral-based nonlinear optical materials. 3. Synthetic studies of cyclopentadiene- and cycloheptatriene-substituted polyhedral compounds: synthesis of 1,12-[C(7)H(7)C(2)B(10)H(10)(C(5)H(3)Me(2))] and related species.

Inorganic chemistry 20010702

Identification of alkyl dimethylbenzylammonium surfactants in water samples by solid-phase extraction followed by ion trap LC/MS and LC/MS/MS.

Environmental science & technology 20010615

Synthesis and structure of W(eta(2)-mp)(2)(CO)(3) (mp = monoanion of 2-mercaptopyridine) and its reactions with 2,2'-pyridine disulfide and/or NO to yield W(eta(2)-mp)(4), W(eta(2)-mp)(2)(NO)(2), and W(eta(2)-mp)(3)(NO).

Inorganic chemistry 20010507

Antiaromaticity in open-shell cyclopropenyl to cycloheptatrienyl cations, anions, free radicals, and radical ions.

Chemical reviews 20010501

Chemistry and properties of cycloheptatetraene in the inner phase of a hemicarcerand.

Chemistry (Weinheim an der Bergstrasse, Germany) 20010316

An old but simple and efficient method to elucidate the oxidation mechanism of NAD(P)H model 1-Aryl-1,4-dihydronicotinamides by cations 2-methyl-5-nitroisoquinolium, tropylium, and xanthylium in aqueous solution.

The Journal of organic chemistry 20010126