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  2. @theochem
  3. complexes,Short-range/long-range gradients,non-bonded

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    1Analytic gradients for the combined sr-DFT/lr-MP2 method: Application to weakly bound systems
     

    S. Chabbal, H. Stoll, H. Werner, and T. Leininger. Mol. Phys., 108 (24): 3373–3382 (2010)
    7 years ago by @theochem
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    • chemie
    • gradients,non-bonded
    • werner
    • from:alexanderdenzel
    • separation
    • theoretische
    • stuttgart
    • DFT/MP2,analytical
    • theochem
    • complexes,short-range/long-range
     
      chemiegradients,non-bondedwernerfrom:alexanderdenzelseparationtheoretischestuttgartDFT/MP2,analyticaltheochemcomplexes,short-range/long-range
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