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SCIENCE LINKS 

Essential Databases for Your Research

Welcome to your one-stop hub for research databases and resources! Here, you’ll find curated links to the most reliable and cutting-edge scientific tools, journals, and platforms. Whether you’re conducting nanoscience experiments, exploring advanced spectroscopy techniques, or diving into data analysis, these resources are here to support your journey.

Journals Links (A-Z)

  • Accounts of Chemical Research
    https://pubs.acs.org/journal/achre4

  • ACS Catalysis
    https://pubs.acs.org/journal/accacs

  • ACS Central Science
    https://pubs.acs.org/journal/acscii

  • ACS Nano
    https://pubs.acs.org/journal/ancac3

  • Advanced Energy Materials
    https://onlinelibrary.wiley.com/journal/16146832

  • Advanced Functional Materials
    https://onlinelibrary.wiley.com/journal/16163028

  • Advanced Materials
    https://onlinelibrary.wiley.com/journal/15214095

  • Angewandte Chemie International Edition
    https://onlinelibrary.wiley.com/journal/15213773

  • Analytical Chemistry
    https://pubs.acs.org/journal/ancham

  • Biochemistry
    https://pubs.acs.org/journal/bichaw

  • Biomacromolecules
    https://pubs.acs.org/journal/bomaf6

  • Chemical Communications
    https://pubs.rsc.org/en/journals/journal/cc

  • Chemical Engineering Journal
    https://www.journals.elsevier.com/chemical-engineering-journal

  • Chemical Reviews
    https://pubs.acs.org/journal/chreay

  • Chemical Science
    https://pubs.rsc.org/en/journals/journal/sc

  • Chemical Society Reviews
    https://pubs.rsc.org/en/journals/journal/cs

  • Chemistry – A European Journal
    https://chemistry-europe.onlinelibrary.wiley.com/journal/15213765

  • Chemistry of Materials
    https://pubs.acs.org/journal/cmatex

  • Coordination Chemistry Reviews
    https://www.journals.elsevier.com/coordination-chemistry-reviews

  • Energy & Environmental Science
    https://pubs.rsc.org/en/journals/journal/ee

  • Environmental Science & Technology
    https://pubs.acs.org/journal/esthag

  • Green Chemistry
    https://pubs.rsc.org/en/journals/journal/gc

  • Inorganic Chemistry
    https://pubs.acs.org/journal/inocaj

  • Journal of Agricultural and Food Chemistry
    https://pubs.acs.org/journal/jafcau

  • Journal of Analytical Atomic Spectrometry
    https://pubs.rsc.org/en/journals/journal/ja

  • Journal of Biological Chemistry
    https://www.jbc.org/

  • Journal of Catalysis
    https://www.journals.elsevier.com/journal-of-catalysis

  • Journal of Chemical Education
    https://pubs.acs.org/journal/jceda8

  • Journal of Materials Chemistry A
    https://pubs.rsc.org/en/journals/journal/ta

  • Journal of Materials Chemistry B
    https://pubs.rsc.org/en/journals/journal/tb

  • Journal of Materials Chemistry C
    https://pubs.rsc.org/en/journals/journal/tc

  • Journal of Medicinal Chemistry
    https://pubs.acs.org/journal/jmcmar

  • Journal of Organic Chemistry
    https://pubs.acs.org/journal/joceah

  • Journal of Physical Chemistry A
    https://pubs.acs.org/journal/jpcafh

  • Journal of Physical Chemistry B
    https://pubs.acs.org/journal/jpcbfk

  • Journal of Physical Chemistry C
    https://pubs.acs.org/journal/jpccck

  • Journal of the American Chemical Society (JACS)
    https://pubs.acs.org/journal/jacsat

  • Langmuir
    https://pubs.acs.org/journal/langd5

  • Macromolecules
    https://pubs.acs.org/journal/mamobx

  • Nano Letters
    https://pubs.acs.org/journal/nalefd

  • Nature
    https://www.nature.com/

  • Nature Chemistry
    https://www.nature.com/nchem/

  • Nature Communications
    https://www.nature.com/ncomms/

  • Nature Materials
    https://www.nature.com/nmat/

  • Nature Reviews Chemistry
    https://www.nature.com/natrevchem/

  • Nature Reviews Drug Discovery
    https://www.nature.com/nrd/

  • Organic Letters
    https://pubs.acs.org/journal/orlef7

  • Organometallics
    https://pubs.acs.org/journal/orgnd7

  • Science
    https://www.sciencemag.org/

  • Science Advances
    https://advances.sciencemag.org/

  • Scientific Reports
    https://www.nature.com/srep/

  • Soft Matter
    https://pubs.rsc.org/en/journals/journal/sm

  • Supramolecular Chemistry
    https://www.tandfonline.com/toc/gsch20/current

  • Sustainable Chemistry and Engineering
    https://pubs.acs.org/journal/ascecg

  • Trends in Chemistry
    https://www.cell.com/trends/chemistry

  • Water Research
    https://www.journals.elsevier.com/water-research

  • Chemical Biology & Drug Design
    https://onlinelibrary.wiley.com/journal/17470285

  • Journal of Chemical Technology and Biotechnology
    https://onlinelibrary.wiley.com/journal/10974660

  • Electrochimica Acta
    https://www.journals.elsevier.com/electrochimica-acta

  • Bioinorganic Chemistry and Applications
    https://www.hindawi.com/journals/bca/

 

Reliable online tools and platforms for predicting and visualizing spectrometry data, including NMR, IR, UV-Vis, and mass spectrometry

NMR Prediction Tools

  1. NMRShiftDB

    • Description: Predicts and visualizes ^1H and ^13C NMR spectra from molecular structures.

    • Website: NMRShiftDB

  2. ACD/Labs NMR Predictor

    • Description: A powerful tool for predicting and analyzing NMR spectra, available online and as desktop software.

    • Website: ACD/Labs NMR Predictor

  3. Chemaxon MarvinSketch

    • Description: Offers ^1H and ^13C NMR prediction for drawn structures. Free for academic use.

    • Website: MarvinSketch

  4. Predict NMR Spectra (nmrdb.org)

    • Description: Free tool for generating ^1H and ^13C NMR spectra based on a molecular structure.

    • Website: nmrdb.org

Mass Spectrometry Prediction Tools

  1. MassBank

    • Description: A database of experimental mass spectra, useful for comparing and predicting MS data.

    • Website: MassBank

  2. METLIN

    • Description: A metabolomics database with predicted and experimental MS/MS spectra for thousands of compounds.

    • Website: METLIN

  3. MS-Interpreter

    • Description: Predicts fragmentation patterns and interprets mass spectra for molecules.

    • Website: MS-Interpreter

IR and UV-Vis Prediction Tools

  1. IR Spectrum Simulation (Gaussian WebMO)

    • Description: Simulates IR spectra for chemical structures using quantum mechanics.

    • Website: Gaussian WebMO

  2. SpectraBase

    • Description: Offers a large database of IR, UV-Vis, MS, and NMR spectra for reference and comparison.

    • Website: SpectraBase

  3. ChemDoodle Online

    • Description: Provides free IR, UV-Vis, and NMR predictions for simple molecular structures.

    • Website: ChemDoodle Online

Integrated Spectrometry Tools

  1. Virtual Computational Chemistry Laboratory (VCCLAB)

    • Description: Predicts NMR, IR, and UV-Vis spectra and other properties from molecular structures.

    • Website: VCCLAB

  2. SciFinder

    • Description: A comprehensive database for chemical data, including spectral predictions and experimental results.

    • Website: SciFinder

Nanomaterials Centers Worldwide

  • Center for Nanoscale Systems (CNS)

  • Cornell Nanoscale Science and Technology Facility (CNF)

  • Mid-Atlantic Nanotechnology Hub (MANTH)

  • Center for Functional Nanomaterials (CFN)

  • Center for Integrated Nanotechnologies (CINT)

  • Center for Nanoscale Materials (CNM)

  • Center for Nanophase Materials Sciences (CNMS)

  • The Molecular Foundry

  • Kavli Nanoscience Institute

  • California NanoSystems Institute (CNSI)

  • National Institute for Materials Science (NIMS)

  • Frontier Research Center

  • Center for Nanotechnology Research and Development

  • Tel Aviv University Center for Nanoscience and Nanotechnology

  • Center for Nanomaterials and Chemical Reactions

  • Center for Nanoparticle Research

  • Institute of Nanotechnology

  • MESA+ Institute for Nanotechnology

  • London Centre for Nanotechnology

  • Catalan Institute of Nanoscience and Nanotechnology (ICN2)

  • Centre for Nano and Soft Matter Sciences (CeNS)

  • Centre for Nanoscience and Nanotechnology

  • Australian Institute for Bioengineering and Nanotechnology (AIBN)

  • Flinders Institute for Nanoscale Science & Technology

    • Institution: Flinders University, Adelaide, Australia

Databases specializing in Nuclear Magnetic Resonance (NMR), Ultraviolet Photoelectron Spectroscopy (UPS)

  • SDBS (Spectral Database for Organic Compounds)

    • Description: A free database providing NMR, IR, MS, Raman, and ESR spectra for a wide range of organic compounds.

    • Access: SDBS

  • Wiley's KnowItAll NMR Spectral Library

  • ACD/Labs NMR Databases

    • Description: Extensive spectral libraries for ^1H, ^13C, ^15N, ^19F, and ^31P nuclei, covering a broad range of compounds.

    • Access: ACD/Labs NMR Databases

  • Biological Magnetic Resonance Data Bank (BMRB)

    • Description: Repository for NMR spectroscopy data from proteins, peptides, nucleic acids, and other biomolecules.

    • Access: BMRB

  • NMRShiftDB

    • Description: An open-access database for organic structures and their NMR data.

    • Access: NMRShiftDB

  • PubChem

    • Description: Provides chemical information, including NMR spectra, for a vast number of compounds.

    • Access: PubChem

  • ChemSpider

    • Description: A free chemical structure database providing access to spectral data, including NMR.

    • Access: ChemSpider

  • Human Metabolome Database (HMDB)

    • Description: Comprehensive information on human metabolites, including NMR and MS spectra.

    • Access: HMDB

  • MetaboLights

    • Description: A repository for metabolomics studies, including NMR and MS data.

    • Access: MetaboLights

  • Yeast Metabolome Database (YMDB)

    • Description: Detailed information on yeast metabolites, encompassing NMR and MS spectra.

    • Access: YMDB

  • E. coli Metabolome Database (ECMDB)

    • Description: Comprehensive data on E. coli metabolites, including NMR spectra.

    • Access: ECMDB

  • Serum Metabolome Database

  • SMPDB (Small Molecule Pathway Database)

    • Description: Contains pathway diagrams and associated spectral data for small molecules.

    • Access: SMPDB

  • DrugBank

    • Description: Comprehensive data on drugs and drug metabolites, including NMR spectra.

    • Access: DrugBank

  • MassBank

    • Description: A public repository for mass spectra of various compounds.

    • Access: MassBank

  • ReSpect (RIKEN MSn Spectral Database)

    • Description: A database of high-quality MSn spectra for metabolomics.

    • Access: ReSpect

  • Global Natural Products Social Molecular Networking (GNPS)

    • Description: An open-access platform for sharing and analyzing MS data.

    • Access: GNPS

  • Metlin Metabolite Database

    • Description: A repository of metabolite information and tandem MS data.

    • Access: Metlin

  • LipidMaps

    • Description: Comprehensive data on lipid structures and their MS spectra.

    • Access: LipidMaps

  • ChEBI (Chemical Entities of Biological Interest)

    • Description: Database of molecular entities focused on 'small' chemical compounds, including spectral data.

    • Access: ChEBI

  • NIST Chemistry WebBook

    • Description: Provides access to chemical and physical property data, including IR and MS spectra.

    • Access: NIST WebBook

  • BioMagResBank (BMRB)

    • Description: Repository for NMR data of biomolecules.

    • Access: BMRB

  • Protein Data Bank (PDB)

    • Description: Database for 3D structural data of large biological molecules, with associated NMR data.

    • Access: PDB

  • ChemExper Chemical Directory

    • Description: Database of chemical compounds, including spectral data.

    • Access: ChemExper

  • SpectraBase

    • Description: A free online resource of chemical spectra.

    • Access: SpectraBase

​

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