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The field-adapted ADMA approach: Introducing point charges

Journal of Physical Chemistry A, ISSN: 1089-5639, Vol: 108, Issue: 19, Page: 4301-4309
2004
  • 97
    Citations
  • 0
    Usage
  • 33
    Captures
  • 0
    Mentions
  • 0
    Social Media
Metric Options:   Counts1 Year3 Year

Metrics Details

  • Citations
    97
    • Citation Indexes
      97
  • Captures
    33

Article Description

The developments of the adjustable density matrix assembler (ADMA) in respect to quantum chemistry were discussed. The macromolecule ADMA divided into fuzzy fragments. The electron density of the fragments combined to result into electron density of molecule. The distance of molecules was calculated by taking large distance of macromolecules. The distance of the target molecule was represented by quantum chemical calculations. Analysis shows that ADMA technique was efficient for large biomolecular systems.

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