• News
    • Benedetta Mennucci Awarded ERC Grant
    • Japanese Translation of ExpChem3
    • Scuseria: Award from RSC
    • Caricato: NSF Career Award
    • JPC Top 25 Articles
    • GPUs & G16
  • Products
    Gaussian 16 GaussView 6 Linda GMMX Exploring Chemistry

  • Support
    Technical Support Information White Papers
    Contact Technical Support Gaussian Tutorial Videos Creating UV/Visible Plots
    中文技术支持 FAQ & Tips Antiferromagnetic Coupling
    Gaussian Maintenance Program G16 Release Notes QST2 Transition State Optimizations
    PC/Mac Product Registration G16 Keyword List Teaching Physical Chemistry
    G16 Users Reference Comparing NMR Methods
    Historical Documents G16 IOps Reference Vibrational Analysis in Gaussian
    G09 Citation GaussView 6 Help Thermochemistry in Gaussian
    Versions of Gaussian Linda Manual (gzipped) Visualizing Results on Different Machines
    G09 Keyword pages (gzipped tar archive) Installation Instructions Studying Chirality
    GaussView 5 Reference (zipped) Investigating Large Molecules with ONIOM

  • Our People
  • Orders/Contact
    • Product Pricing
    • Shipping and Handling
    • Terms and Conditions
    • Order Form
    • Sales Agents
    • Contact Us

Reed83a

A. E. Reed and F. Weinhold, “Natural bond orbital analysis of near-Hartree-Fock water dimer,” J. Chem. Phys., 78 (1983) 4066-73. DOI: 10.1063/1.445134

Related Articles:
  • Citation
  • Citation
  • Gaussian 09 Citation
  • Population
  • References
  • Rev. A.03 Citation

Quick Links

  • Basis Sets
  • Density Functional (DFT) Methods
  • Solvents List SCRF
  • References





@gaussian