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Volumn 15, Issue 20, 2013, Pages 4027-4035

The "sceptical chymist": Intermolecular doubts and paradoxes

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EID: 84876911674     PISSN: None     EISSN: 14668033     Source Type: Journal    
DOI: 10.1039/c3ce00051f     Document Type: Article
Times cited : (85)

References (29)
  • 2
    • 52149120967 scopus 로고    scopus 로고
    • As often discussed in the literature, the partitioning offered by the PIXEL method is one of the many possible. While Coulombic energies are physically meaningful, being the numerical integration equivalent of the exact quantum chemical operators, polarization, dispersion and repulsion terms stem from parametrization. See e.g.
    • A. Gavezzotti Mol. Phys. 2008 106 1473 1485
    • (2008) Mol. Phys. , vol.106 , pp. 1473-1485
    • Gavezzotti, A.1
  • 10
  • 11
    • 79955161581 scopus 로고    scopus 로고
    • Note that 'biased' refers to the Monte Carlo steps, not to the energy states
    • A. Gavezzotti CrystEngComm 2011 13 3573 3579
    • (2011) CrystEngComm , vol.13 , pp. 3573-3579
    • Gavezzotti, A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.