List of works - Henry S. Rzepa

2-Acyl thiazolium salts as selective agents for the O-acylation of aromatic hydroxylamines

A Computational Evaluation of the Evidence for the Synthesis of 1,3‐Dimethylcyclobutadiene in the Solid State and Aqueous Solution ⬇️

scientific article published on March 15, 2013

A Hückel theory perspective on Möbius aromaticity

scientific article published on 25 June 2013

A PM3 SCF-MO study of the structure and bonding in the cage systems S4N4 and S4N4X (X = N+, N−, S, N2S, P+, C, Si, B− and Al−)

scientific article (publication date: 1990)

A Response to the Critical Comments on “One Molecule, Two Atoms, Three Views, Four Bonds?” ⬇️

scientific article published on April 29, 2013

A computational analysis of the ring-opening polymerization of rac-lactide initiated by single-site beta-diketiminate metal complexes: defining the mechanistic pathway and the origin of stereocontrol

scientific article (publication date: 27 April 2005)

A computational investigation of the structure of polythiocyanogen

scientific article

A computational study of the nondissociative mechanisms that interchange apical and equatorial atoms in square pyramidal molecules

scientific article published on 01 May 2006

A double-twist Möbius-aromatic conformation of [14]annulene

scientific article

A global resource for computational chemistry

scientific article published on 21 July 2005

A metadata-driven approach to data repository design

scientific article

A multiply functionalized base-coordinated Ge(II) compound and its reversible dimerization to the digermene

scientific article published on 31 October 2014

A new publishing paradigm: STM articles as part of the semantic web

scientific article published on July 2001

A robot-based resource discovery tool for adding chemical meta-information and value to web-based documents

A solid-supported arylboronic acid catalyst for direct amidation

scientific article published on 01 March 2019

A stable derivative of the global minimum on the Si6H6 potential energy surface

scientific article published on 04 July 2011

A study in mauve: unveiling Perkin's dye in historic samples.

scientific article

A theoretical MNDO and AM1 SCF-MO study of dihydrogen transfer reactions

scientific article published in 1989

A tricyclic aromatic isomer of hexasilabenzene.

scientific article

A universal approach to web-based chemistry using XML and CML

scientific article (publication date: 2000)

An Accessible Method for DFT Calculation of 11B NMR Shifts of Organoboron Compounds

scientific article published on 11 July 2018

An Animated Interactive Overview of Molecular Symmetry

An MCSCF study of the effect of substituents and solvent on the [2 + 2]cycloaddition of tert-butylcyanoketene to phenylethene

An unusual example of stereoelectronic control in the ring opening of 3,3-disubstituted 1,2-dichlorocyclopropenes

An x-ray crystallographic, mass spectroscopic, and NMR study of the limonoid insect antifeedant azadirachtin and related derivatives

article

Aromaticity rules for cycles with arbitrary numbers of half-twists

scientific article (publication date: 21 April 2006)

Auranthine, a new benzodiazepinone metabolite of Penicillium aurantiogriseum

CHAMP is a HPC Access and Metadata Portal

scientific article published on 10 February 2022

CML: Evolution and design ⬇️

scientific article published on October 14, 2011

Can 1,3-dimethylcyclobutadiene and carbon dioxide co-exist inside a supramolecular cavity?

scientific article published on 15 December 2010

Chapter 7 Achieving a Holistic Web in the Chemistry Curriculum

scientific article published on 04 October 2007

ChemDig: new approaches to chemically significant indexing and searching of distributed web collectionsElectronic supplementary information (ESI) available: list of less common chemical MIME media types, output template definitions and stylesheets as

article by Georgios V. Gkoutos et al published 13 May 2002 in New Journal of Chemistry

ChemSem: an extensible and scalable RSS-based seminar alerting system for scientific collaboration

scientific article published on May 2006

Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOM

scientific article (publication date: September 2001)

Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language

scientific article (publication date: 24 November 2008)

Chemical Markup, XML, and the World Wide Web. 4. CML Schema

scientific article (publication date: May 2003)

Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators ⬇️

scientific article

Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions

scientific article

Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML Vocabulary for Spectral Data

peer-reviewed article

Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles

scientific article (publication date: November 1999)

Chemical applications of the World-Wide-Web system

scientific article (publication date: 1994)

Chemical datuments as scientific enablers

scientific article

Chemical machine vision: automated extraction of chemical metadata from raster images

scientific article published on September 2003

Chemical markup, XML and the World-Wide Web. 3. Toward a signed semantic chemical web of trust

scientific article published on September 2001

Chemistry in bioinformatics

scientific article

Chemistry preprints

scientific article published on May 2002

Chemoselective Polymerizations from Mixtures of Epoxide, Lactone, Anhydride, and Carbon Dioxide

scientific article published on 22 March 2016

Chiral Aromaticities. A Topological Exploration of Möbius Homoaromaticity

scientific article published on 01 November 2008

Chiral Aziridination of Olefins Using a Chiral Sulfinamide as the Nitrogen Source

Chiral aromaticities. AIM and ELF critical point and NICS magnetic analyses of Mobius-type aromaticity and homoaromaticity in lemniscular annulenes and hexaphyrins

scientific article published on 29 July 2008

Chiroptical properties of streptorubin B: the synergy between theory and experiment.

scientific article

Chiroptical studies on brevianamide B: vibrational and electronic circular dichroism confronted

scientific article published on 17 March 2015

Communication and re-use of chemical information in bioscience

scientific article

Contraction and expansion of the silicon scaffold of stable Si6R6 isomers

scientific article published on 13 September 2012

Coordination equilibria between seven- and five-coordinate iron(II) complexes.

scientific article published on 10 October 2013

Correlation of metal spin state with catalytic reactivity: polymerizations mediated by alpha-diimine-iron complexes

scientific article published on 01 February 2006

Cover Feature: Epoxidation of Alkenes by Peracids: From Textbook Mechanisms to a Quantum Mechanically Derived Curly‐Arrow Depiction (ChemistryOpen 10/2019)

scientific article published in October 2019

Crocker, Not Armit and Robinson, Begat the Six Aromatic Electrons

Cycloparaphenylene Möbius trefoils

scientific article published on 14 October 2020

Delineating origins of stereocontrol in asymmetric Pd-catalyzed alpha-hydroxylation of 1,3-ketoesters

scientific article published on 01 May 2010

Design, synthesis, and evaluation of a helicenoidal DMAP Lewis base catalyst

scientific article published on 08 February 2011

Development of chemical markup language (CML) as a system for handling complex chemical content

article

Diastereoselective reactions in glycine templates containing an ent-ardeemin fragment

scientific article

Digital data repositories in chemistry and their integration with journals and electronic notebooks.

scientific article

Diheteroarylmethanes. 6.1Probing the Electron-Withdrawing Rank of Heteroaryl Groups by Conformational Studies of Push-Pull Ethylenes. Isolation of NH-Enamine Tautomers of α,α-Diheteroarylacetaldehydes (Heteroaryl = 2-Benzoxazolyl, 2-Benzothiazolyl) ⬇️

scientific article published on 01 March 1996

Dihydrogen transfer reactions. An SCF-MO study of the relative energies of the concerted and stepwise pathways

scientific article published in 1987

Double-twist Möbius aromaticity in a 4n+ 2 electron electrocyclic reaction

scientific article

Dual wavelength asymmetric photochemical synthesis with circularly polarized light

scientific article published on 16 April 2015

Elemental and Molecular Heritage: An Internet-based Display

article by Henry S. Rzepa published 9 March 1998 in Molecules

Elevated reaction order of 1,3,5-tri-tert-butylbenzene bromination as evidence of a clustered polybromide transition state: a combined kinetic and computational study

scientific article published on 01 April 2019

Enantiomerically Pure Alleno-Acetylenic Macrocycles: Synthesis, Solid-State Structures, Chiroptical Properties, and Electron Localization Function Analysis

scientific article published on 01 August 2010

Enhancement of the chemical semantic web through the use of InChI identifiers

scientific article (publication date: 2005)

Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation Fragmentations: Computational Modeling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C, and Mar

scientific article published on 5 October 2016

Epoxidation of Alkenes by Peracids: From Textbook Mechanisms to a Quantum Mechanically Derived Curly-Arrow Depiction

scientific article published on 12 July 2019

Epoxidation of bromoallenes connects red algae metabolites by an intersecting bromoallene oxide--Favorskii manifold

scientific article published on 23 October 2013

Equilibrium between a cyclotrisilene and an isolable base adduct of a disilenyl silylene

scientific article published on 15 September 2013

Experimental and Computational Investigation of the Mechanism of Carbon Dioxide/Cyclohexene Oxide Copolymerization Using a Dizinc Catalyst

Foliacenes: ab initio modeling of metallocomplexes exhibiting a unique form of 16-electron, metal-induced aromaticity

scientific article published on 01 November 2004

Gold(I) mediated rearrangement of [7]-helicene to give a benzo[cd]pyrenium cation embedded in a chiral framework.

scientific article published on 21 November 2013

Heteroaromatic hydrogen exchange reactions. Part VIII. The ionisation of 1,3-dimethylindolin-2-one

How Many Water Molecules Does it Take to Dissociate HCl?

scientific article published on 15 January 2016

Hydrogen transfer reactions of indoles

doctoral thesis

Hyperactive molecules and the World-Wide-Web information system

scientific article published in 1995

In search of the Bailar and Rây-Dutt twist mechanisms that racemize chiral trischelates: a computational study of Sc(III), Ti(IV), Co(III), Zn(II), Ga(III), and Ge(IV) complexes of a ligand analogue of acetylacetonate

scientific article published on 24 August 2007

InChI As a Research Data Management Tool

scientific article (publication date: 2016)

Intrinsically chiral aromaticity. Rules incorporating linking number, twist, and writhe for higher-twist Möbius annulenes

scientific article published on 28 May 2008

Kinetic Resolution of 2-Substituted Indolines by N -Sulfonylation using an Atropisomeric 4-DMAP-N -oxide Organocatalyst

Kinetic Resolution of 2-Substituted Indolines by N-Sulfonylation using an Atropisomeric 4-DMAP-N-oxide Organocatalyst.

scientific article published on 26 April 2017

Lemniscular hexaphyrins as examples of aromatic and antiaromatic double-twist Möbius molecules

scientific article published on 09 February 2008

Linking number analysis of a pentadecanuclear metallamacrocycle: a Möbius-Craig system revealed

scientific article published on 21 August 2008

Low-valent Ge(2) and Ge(4) species trapped by N-heterocyclic gallylene

scientific article

MNDO parameters for third period elements

scientific article (publication date: May 1978)

Mechanistic and chiroptical studies on the desulfurization of epidithiodioxopiperazines reveal universal retention of configuration at the bridgehead carbon atoms

scientific article

Mechanistic diversity in thermal fragmentation reactions: a computational exploration of CO and CO₂ extrusions from five-membered rings

scientific article

Mechanistic insights into boron-catalysed direct amidation reactions

scientific article published on 2 January 2018

Modulation of Amide Bond Rotamers in 5-Acyl-6,7-dihydrothieno[3,2-c]pyridines

scientific article published on 9 April 2015

Moebius Aromaticity and Delocalization

Mono- and Dicoordinate Germanium(0) as Four Electron Donor.

scientific article

Möbius Aromaticity and Delocalization

scientific article (publication date: October 2005)

Möbius and Hückel spiroaromatic systems

Möbius bis and tris-spiroaromatic systems

scientific article published on 01 January 2003

N-heteroatom substitution effect in 3-aza-cope rearrangements ⬇️

scientific article published on May 28, 2013

N-heterocyclic carbene coordinated neutral and cationic heavier cyclopropylidenes

scientific article published on 24 July 2014

Nature of the Carbon-Sulfur Bond in the Species H-CS-OH

scientific article published on 09 December 2010

Noncatalytic bromination of benzene: A combined computational and experimental study.

scientific article published on 14 July 2015

Novel triterpenoids from the fungus

scientific article published on 25 July 2002

On the Determination of the Stereochemistry of Semisynthetic Natural Product Analogues using Chiroptical Spectroscopy: Desulfurization of Epidithiodioxopiperazine Fungal Metabolites

scientific article published on 05 September 2011

One Molecule, Two Atoms, Three Views, Four Bonds?

scientific article published on 30 January 2013

Origins of the regioselectivity of cyclopropylcarbinyl ring opening reactions in bicyclo [n.1.0] systems

article

Quadruple bonding in C2 and analogous eight-valence electron species ⬇️

scientific article (publication date: 29 January 2012)

Racemization of Isobornyl Chloride via Carbocations: A Nonclassical Look at a Classic Mechanism

Reaction of aromatic nitroso compounds with chemical models of ‘thiamine active aldehyde’

Representation and use of chemistry in the global electronic age.

scientific article published on 22 October 2004

Reversibility and reactivity in an acid catalyzed cyclocondensation to give furanochromanes - a reaction at the 'oxonium-Prins' vs. 'ortho-quinone methide cycloaddition' mechanistic nexus

scientific article published on 19 October 2018

Ring currents in the dismutational aromatic Si6R6

scientific article published on 01 December 2010

SPECTRa-T: machine-based data extraction and semantic searching of chemistry e-theses

scientific article

SPECTRa: the deposition and validation of primary chemistry research data in digital repositories

scientific article

STMML. A markup language for scientific, technical and medical publishing

Scientific publications in XML - towards a global knowledge base

scientific article published on 2002

Semantic physical science ⬇️

scientific article (publication date: 3 August 2012)

SemanticEye: a semantic web application to rationalize and enhance chemical electronic publishing.

scientific article

Semiempirical calculations of molecular vibrational frequencies: The MNDO method

article

Silver-catalysed enantioselective addition of O-H and N-H bonds to allenes: a new model for stereoselectivity based on noncovalent interactions

scientific article published on 24 July 2012

Six questions on topology in theoretical chemistry

article published in 2015

Some influences of fluorine in bioorganic chemistry

Stable bromoallene oxides.

scientific article published in September 2016

Standards-based curation of a decade-old digital repository dataset of molecular information

scientific article (publication date: 2015)

Standards-based metadata procedures for retrieving data for display or mining utilizing persistent (data-DOI) identifiers

scientific article (publication date: 2015)

Stereoelectronic effects in R–NSN–R systems. An MNDO and ab initio SCFMO study

Stereoselective synthesis of cis- and trans-2,3-disubstituted tetrahydrofurans via oxonium-prins cyclization: access to the cordigol ring system

scientific article published on 01 March 2010

Structural reappraisal of the limonoid insect antifeedant azadirachtin

article

Structural reassignment of obtusallenes V, VI, and VII by GIAO-based density functional prediction

scientific article published on 23 February 2008

Studies in sigmatropic rearrangements of N-prenylindole derivatives--a formal enantiomerically pure synthesis of tryprostatin B

scientific article published on 28 September 2006

Successful computational modeling of isobornyl chloride ion-pair mechanisms

scientific article published on August 2010

Surfing π clouds for noncovalent interactions: arenes versus alkenes

scientific article published on 17 November 2014

Synthesis and Reactions of Benzannulated Spiroaminals: Tetrahydrospirobiquinolines.

scientific article published on 7 July 2017

Synthetic, structural, mechanistic, and computational studies on single-site beta-diketiminate tin(II) initiators for the polymerization of rac-lactide

scientific article

The 'Molecule of the Month' Website-An Extraordinary Chemistry Educational Resource Online for over 20 Years

scientific article published on 29 March 2017

The Application of Chemical Multipurpose Internet Mail Extensions (Chemical MIME) Internet Standards to Electronic Mail and World Wide Web Information Exchange

scientific article

The Blue Obelisk-interoperability in chemical informatics

peer-reviewed research article

The Chiro-optical Properties of a Lemniscular Octaphyrin

scientific article published in 2009

The Cp*Si+ cation as a stoichiometric source of silicon

scientific article published on 04 July 2012

The Use of the Free, Open-Source Program Jmol To Generate an Interactive Web Site To Teach Molecular Symmetry

scientific article published in November 2005

The World-Wide Web as a chemical information tool

The aromaticity and Möbius characteristics of carbeno[8]heteroannulenes and triplet state annulenes

scientific article published on 01 March 2002

The case for content integrity in electronic chemistry journals: The CLIC project

scientific article published in January 1995

The distortivity of pi-electrons in conjugated boron rings

scientific article published on 08 September 2009

The geometry and electronic topology of higher-order charged Möbius annulenes

scientific article published on 01 October 2009

The importance of being bonded ⬇️

scientific article published on October 1, 2009

The nature of the fourth bond in the ground state of C2: the quadruple bond conundrum

scientific article published on 29 April 2014

The past, present and future of Scientific discourse ⬇️

scientific article published on October 14, 2011

The preparation, X-ray crystal structure and theoretical study of [CoCp2][S3N3], (Cp = cyclopentadienyl), a novel stacking compound incorporating multiple C–H ⋯ N(pπ) interactions

The rational design of helium bonds

article by Henry S. Rzepa published 28 March 2010 in Nature Chemistry

The vicinal difluoro motif: The synthesis and conformation of erythro- and threo- diastereoisomers of 1,2-difluorodiphenylethanes, 2,3-difluorosuccinic acids and their derivatives

scientific article

Total Synthesis of (+)-Lophirone H and Its Pentamethyl Ether Utilizing an Oxonium-Prins Cyclization.

scientific article published on 5 May 2017

Towards the chemical semantic web. An introduction to RSS

scholarly article from 2003

Triterpenoids of the fungus Pisolithus tinctorius*

article published in 1988

Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design

scientific article published on 23 December 2016

Unusual regiodivergence in metal-catalysed intramolecular cyclisation of gamma-allenols

scientific article published on 13 October 2009

VChemLab: A Virtual Chemistry Laboratory. The Storage, Retrieval, and Display of Chemical Information Using Standard Internet Tools

scientific article (publication date: November 1998)

Verification of stereospecific dyotropic racemisation of enantiopure D and L-1,2-dibromo-1,2-diphenylethane in non-polar media

scientific article published on 30 July 2012

Vibrational spectra of sulphur—nitrogen heterocycles: [S4N3]Cl and [S3N2Cl]Cl

article

WWW94 Chemistry Workshop

Workflows Allowing Creation of Journal Article Supporting Information and Findable, Accessible, Interoperable, and Reusable (FAIR)-Enabled Publication of Spectroscopic Data

scientific article published on 14 February 2019

Wormholes in chemical space connecting torus knot and torus link pi-electron density topologies

scientific article (publication date: 7 March 2009)

List of works by Henry S. Rzepa

2-Acyl thiazolium salts as selective agents for the O-acylation of aromatic hydroxylamines

A Computational Evaluation of the Evidence for the Synthesis of 1,3‐Dimethylcyclobutadiene in the Solid State and Aqueous Solution ⬇️

A Hückel theory perspective on Möbius aromaticity

A PM3 SCF-MO study of the structure and bonding in the cage systems S4N4 and S4N4X (X = N+, N−, S, N2S, P+, C, Si, B− and Al−)

A Response to the Critical Comments on “One Molecule, Two Atoms, Three Views, Four Bonds?” ⬇️

A computational analysis of the ring-opening polymerization of rac-lactide initiated by single-site beta-diketiminate metal complexes: defining the mechanistic pathway and the origin of stereocontrol

A computational investigation of the structure of polythiocyanogen

A computational study of the nondissociative mechanisms that interchange apical and equatorial atoms in square pyramidal molecules

A double-twist Möbius-aromatic conformation of [14]annulene

A global resource for computational chemistry

A metadata-driven approach to data repository design

A multiply functionalized base-coordinated Ge(II) compound and its reversible dimerization to the digermene

A new publishing paradigm: STM articles as part of the semantic web

A robot-based resource discovery tool for adding chemical meta-information and value to web-based documents

A solid-supported arylboronic acid catalyst for direct amidation

A stable derivative of the global minimum on the Si6H6 potential energy surface

A study in mauve: unveiling Perkin's dye in historic samples.

A theoretical MNDO and AM1 SCF-MO study of dihydrogen transfer reactions

A tricyclic aromatic isomer of hexasilabenzene.

A universal approach to web-based chemistry using XML and CML

An Accessible Method for DFT Calculation of 11B NMR Shifts of Organoboron Compounds

An Animated Interactive Overview of Molecular Symmetry

An MCSCF study of the effect of substituents and solvent on the [2 + 2]cycloaddition of tert-butylcyanoketene to phenylethene

An unusual example of stereoelectronic control in the ring opening of 3,3-disubstituted 1,2-dichlorocyclopropenes

An x-ray crystallographic, mass spectroscopic, and NMR study of the limonoid insect antifeedant azadirachtin and related derivatives

Aromaticity rules for cycles with arbitrary numbers of half-twists

Auranthine, a new benzodiazepinone metabolite of Penicillium aurantiogriseum

CHAMP is a HPC Access and Metadata Portal

CML: Evolution and design ⬇️

Can 1,3-dimethylcyclobutadiene and carbon dioxide co-exist inside a supramolecular cavity?

Chapter 7 Achieving a Holistic Web in the Chemistry Curriculum

ChemDig: new approaches to chemically significant indexing and searching of distributed web collectionsElectronic supplementary information (ESI) available: list of less common chemical MIME media types, output template definitions and stylesheets as

ChemSem: an extensible and scalable RSS-based seminar alerting system for scientific collaboration

Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOM

Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language

Chemical Markup, XML, and the World Wide Web. 4. CML Schema

Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators ⬇️

Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions

Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML Vocabulary for Spectral Data

Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles

Chemical applications of the World-Wide-Web system

Chemical datuments as scientific enablers

Chemical datuments as scientific enablers

Chemical machine vision: automated extraction of chemical metadata from raster images

Chemical markup, XML and the World-Wide Web. 3. Toward a signed semantic chemical web of trust

Chemistry in bioinformatics

Chemistry preprints

Chemoselective Polymerizations from Mixtures of Epoxide, Lactone, Anhydride, and Carbon Dioxide

Chiral Aromaticities. A Topological Exploration of Möbius Homoaromaticity

Chiral Aziridination of Olefins Using a Chiral Sulfinamide as the Nitrogen Source

Chiral aromaticities. AIM and ELF critical point and NICS magnetic analyses of Mobius-type aromaticity and homoaromaticity in lemniscular annulenes and hexaphyrins

Chiroptical properties of streptorubin B: the synergy between theory and experiment.

Chiroptical studies on brevianamide B: vibrational and electronic circular dichroism confronted

Communication and re-use of chemical information in bioscience

Contraction and expansion of the silicon scaffold of stable Si6R6 isomers

Coordination equilibria between seven- and five-coordinate iron(II) complexes.

Correlation of metal spin state with catalytic reactivity: polymerizations mediated by alpha-diimine-iron complexes

Cover Feature: Epoxidation of Alkenes by Peracids: From Textbook Mechanisms to a Quantum Mechanically Derived Curly‐Arrow Depiction (ChemistryOpen 10/2019)

Crocker, Not Armit and Robinson, Begat the Six Aromatic Electrons

Cycloparaphenylene Möbius trefoils

Delineating origins of stereocontrol in asymmetric Pd-catalyzed alpha-hydroxylation of 1,3-ketoesters

Design, synthesis, and evaluation of a helicenoidal DMAP Lewis base catalyst

Development of chemical markup language (CML) as a system for handling complex chemical content

Diastereoselective reactions in glycine templates containing an ent-ardeemin fragment

Digital data repositories in chemistry and their integration with journals and electronic notebooks.

Diheteroarylmethanes. 6.1Probing the Electron-Withdrawing Rank of Heteroaryl Groups by Conformational Studies of Push-Pull Ethylenes. Isolation of NH-Enamine Tautomers of α,α-Diheteroarylacetaldehydes (Heteroaryl = 2-Benzoxazolyl, 2-Benzothiazolyl) ⬇️

Dihydrogen transfer reactions. An SCF-MO study of the relative energies of the concerted and stepwise pathways

Double-twist Möbius aromaticity in a 4n+ 2 electron electrocyclic reaction

Dual wavelength asymmetric photochemical synthesis with circularly polarized light

Elemental and Molecular Heritage: An Internet-based Display

Elevated reaction order of 1,3,5-tri-tert-butylbenzene bromination as evidence of a clustered polybromide transition state: a combined kinetic and computational study

Enantiomerically Pure Alleno-Acetylenic Macrocycles: Synthesis, Solid-State Structures, Chiroptical Properties, and Electron Localization Function Analysis

Enhancement of the chemical semantic web through the use of InChI identifiers

Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation Fragmentations: Computational Modeling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C, and Mar

Epoxidation of Alkenes by Peracids: From Textbook Mechanisms to a Quantum Mechanically Derived Curly-Arrow Depiction

Epoxidation of bromoallenes connects red algae metabolites by an intersecting bromoallene oxide--Favorskii manifold

Equilibrium between a cyclotrisilene and an isolable base adduct of a disilenyl silylene

Experimental and Computational Investigation of the Mechanism of Carbon Dioxide/Cyclohexene Oxide Copolymerization Using a Dizinc Catalyst

Foliacenes: ab initio modeling of metallocomplexes exhibiting a unique form of 16-electron, metal-induced aromaticity