Resources


Databases Reference DataLab Procedures, Tools and SoftwareLecture Notes and ProblemsReference & Communication Tools


Databases

Web of Science • SciFinder ScholarReaxys • ChemSpiderOrganic SynthesesScience of SynthesisSDBS (Spectral Database)

X-ray Crystallographic Databases: Cambridge Crystallographic Data Centre (CCDC)Inorganic Crystal Structure DatabaseRCSR

Acronym Databases: ChemInformUWisconsin (Reich)Abbreviations and AcronymsAcronyms List

Reagents: e-EROSNamed Reagents Oxidizing AgentsReducing AgentsRedox Agents (Review)

Protecting Groups: Myers, Organic Chem PortalCarbohydratesOrganic-ReactionGreene's Protective Groups Book

Named Reactions: Organic Chem PortalMonomerChemElsevier (App for iOS)

Classic Organic Reactions: Organic Reactions Wiki • Named Rules and Effects In Organic Chemistry

Total Synthesis Databases: SynarchiveU of WisconsinU of ArizonaProf. Toshiyuki Kan • NaturalProductMan

IUPAC GoldbookTop 200 Drugs by Sales • Natural Product Updates • PAH Databases: IR UV, IR (Astro)

Additional Resources: ACSCHEMnetBASE64 Free Chemistry Databases • Wired ChemistMore Links

 

Reference Data

pKa Tables: Evans (water/DMSO)Bordwell (DMSO)Williams (with references)OChemOnline

Bond Lengths • Bond Dissociation Energies [1,2] • A-Values • Electronegativitiesvan der Waals Radii • Periodic Table/Elemental Data

Organic Chemistry Reference Data (H. Reich, U of Wisconsin)Mayr Reactivity Scales (Nucelophilicity/Electrophilicity Table)

Handbook of Chemistry and Physics • Physical Constants (NIST) • Physiochemical Properties of Liquids

Common Solvent Properties: Aldrich TableLong Tables • Short Table

Table for Preparing Acid/Base Stock Solutions • 19F-NMR Reference Standards

NMR Reference Data [1, 2] - (a) Chemical Shifts: 1H13C19F31P • (b) Coupling Constants: H—HC—H •  CF

NMR Solvents • Common NMR Solvent Impurities: J. Org. Chem., Organometallics and OPR&DVarian NMR Common Commands

Computational Chemistry: Gaussian Keywords • Basis Set ExchangeBenchmarks and Scaling Factors •  Computational Chem List

Orbital Visualization Tools: VSEPR3d orbitals in various Crystal Fields

Symmetry and Point Groups: Symmetry Tutorial • Character Point Group Tables

Nomenclature: IUPAC (General; Organic) • Position Numbering of Aromatics and HeterocyclesHeterocycles (Overview)

IUPAC Terminology: GoldbookPhysical Organic Chemistry • StereochemistryPhotochemistryTheoretical Organic Chemistry

PolymersSelf-Assembly PolymersMOFs • Inorganic Chemistry • Physical ChemistrySupramolecular Chemistry Glossary

 

Laboratory Procedures, Tools, Software and Safety

Laboratory Techniques and Procedures

Not Voodoo - Synthetic Organic Laboratory Techniques"Mother Liquor" Lecture by Prof. David Collum

Kilomentor (Process Chem)ChemtipsPurification of Laboratory Chemicals • Titration of Alkyllithiums [1, 2, 3]

Handling Air-Sensitive Reagents (Aldrich Bulletin)

TLC Stains: OChemOnlineMaynardWiley •  ChemWiki

Cooling Bath Mixtures: OChemOnlineEtOH/Ethylene Glycol/CO2 BathsCooling and Heating BathsSalt-Ice Mixtures

Drying Organic Solvents — Guides: [1, 2]; Drying Agents: J. Org. Chem. 1977 and J. Org. Chem. 2010;

Molecular Sieves: Aldrich Guide ; Removal of Solvent by Extractive Workup: Survey of Water and Solvent Co-Extractions

Solvent Selection Guides: SanofiGSKOrg. Process. Res. Dev.Green Solvents

Chromatography: Flash (J. Org. Chem.) • General Guides (1, 2, 3)• Alumina (1) • AgNO3-SiO2 (1, 2, 3) • Size Exclusion (1, 2, 3, 4

Tips for Growing Crystals for X-ray Crystallography: Dr. BoyleDr. Dinger & Dr. Klosin

Cyclic Voltammetry: GeneralData ProcessingReference Guide (PINE) • BASi Manual

Guides to Interpreting Thermoanalytical Data: DSC (1, 2, 3, 4); TGA (1); TMA (1); DMA (1, 2); Method Development (1, 2)

Analytical Sciences Digital Library (ASDL) Collection (peer reviewed resources)

 

Tools

Pressure-Temperature Nomograph for DistillationsIsotope Distribution Calculator (Mass Spectrometery Tool)Azeotrope Bank

Acid/Base CalculatorReagent Amount CalculatorOptical Rotation CalculatorEnergy Conversion Calculator

Simulation Graphs: Kinetics • Michaelis-MentenKinetic ResolutionBoltzmann FactorsEyring Equation

Online Translators (with chemistry keywords): German-EnglishGerman-English (TU Chemnitz) • GoogleTranslate

 

Software

Computational/Modelling: Gaussian 09 • MOPAC • AvogadroSpartanHyperChemTurbomoleMolecular Modeling ProWiki

Graphics: ChemBioDraw Ultra • CYLview • PyMOL • OVITO • Discovery Studio VisualizerMacMolPltMarvinSketch • ACD/NMR Processor

Graphing and Regression: Microscoft ExcelKaleidaGraphMATLABPolymathGraphPad Kinetics: COPASIKintecus

X-ray Crystallography: Mercury (CCDC)Olex2ORTEP-III • CrystallMaker

List of Chemistry Related Software: CCLNetwork ScienceMacs in ChemistryFreeware

 

Safety

Laboratory Safety Manual (Harvard)SOPsChemical Spills ResponseSafety Equipment CatalogueMSDS

Prudent Practices in the Laboratory • Merck's Reaction Review Policy: An Exercise in Process Safety


Lecture Notes, Group Meeting Collections, Problems and Exams

Lecture Notes

"Advanced Organic Chemistry" Lecture Notes (Prof. David Evans, Harvard CHEM 206)

"Advanced Organic Chemistry: Synthesis of Complex Molecules" Lecture Notes (Prof. Andrew Myers, Harvard CHEM 215)

"Organic Chemistry: Structure and Reactivity" Lecture Notes (Prof. Peter Vollhardt, Berkeley)

"Heterocyclic Chemistry" Lecture Notes (Prof. Phil Baran, The Scripps Research Institute)

"Organometallics" Lecture Notes (Prof. M. Christina White, University of Illinois)

A Coordination Geometry Table of the d-Block Elements and Their Ions (Prof. Jeffrey Moore, University of Illinois)

Organometallic Hypertextbook (Rob Toreki)Virtual ChemistryHistoric Papers in Chemistry

UC Davis ChemWiki: Organic • InorganicPhysicalAnalyticalTheoretical • General Chemistry: Prof. S. Lower

Virtual Textbook of Organic Chemistry: 1, 2ChemgaPediaSynthetic Organic Chem (Prof. Scott Snyder)Baldwin's Rules

Non-Covalent Interactions: 1, 2The CH–π Interaction •  X-ray Crystallography Tools and Notes

Basic PhysicsPrinciples of Electronic Devices • Comprehensive Semiconductor S&TOrganic Electronics Issue (Chem. Rev.)

 

Group Meeting Collections

MacMillan Group Meetings (Princeton University)

Baran Group Meetings (The Scripps Research Institute)

Stoltz Group Meetings (Caltech)

Denmark Group Meetings (University of Illinois)

Evans Group Meetings (Harvard)

Marty Burke (University of Illinois)

 

Problems and Exams

Challenging Problems in Organic Chemistry (Prof. David Evans, Harvard)

Organic Chemistry Problems (Prof. Tohru Fukuyama, University of Tokyo)

Denksport (Total Synthesis Problems, Prof. Dirk Trauner, Universität München)

Organic and Organometallic Problems (Profs. Boydston, Lalic and Michael, University of Washington)

Organic Chemistry Exams: Organic Chemistry Test BankOChem.comStony BrookUCalgaryUMichigan

Spectral Problems: UCLA • Notre DameCU Boulder

Periodic Table Challenge

 

Reference and Communication Tools

Journal Abbreviations: CASCAS Source Index (CASSI) Search ToolThomson Reuters ISIReference Resolver

ACS Style GuideThe Elements of StyleWriting a Paper (Prof. G.M. Whitesides) •  Effective Presentations (Prof. C.J. Hawker)

Creating Effective Slides (by Principae)• Seminar on Seminars (Prof. K.S. Suslick) • English Communication for Scientists

 

Journals