메뉴 건너뛰기




Volumn 126, Issue 10, 2007, Pages

SASS: A symmetry adapted stochastic search algorithm exploiting site symmetry

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; INTERFACIAL ENERGY; ISOMERS; POTENTIAL ENERGY; SAMPLING;

EID: 33947302570     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2646940     Document Type: Article
Times cited : (23)

References (69)
  • 28
    • 33947319076 scopus 로고    scopus 로고
    • D. J. Wales (private communication). Symmetry is exploited in the public domain GMIN program along the lines suggested by the analysis in Ref.. Large improvements can be obtained in the mean first encounter time for multi funnel (see Ref.) systems such as the LJ38 and LJ75 clusters.
    • Wales, D.J.1
  • 29
    • 33947315218 scopus 로고    scopus 로고
    • Symmetry is exploited in the public domain GMIN program along the lines suggested by the analysis in Ref. 28. Large improvements can be obtained in the mean first encounter time for multi funnel (see Ref. 15) systems such as the LJ38 and LJ75 clusters.
    • D. J. Wales (private communication). Symmetry is exploited in the public domain GMIN program along the lines suggested by the analysis in Ref.. Large improvements can be obtained in the mean first encounter time for multi funnel (see Ref.) systems such as the LJ38 and LJ75 clusters.
  • 31
    • 0343070968 scopus 로고    scopus 로고
    • Indeed, this work of Pople was spurred by a suggestion by one of the authors (P. v. R. S.) that he develoa refinement of point grousymmetry that would distinguish between structures with the same point groulike the planar and perpendicular C2v geometries of 1,1-dilithioethylene.
    • Indeed, this work of Pople was spurred by a suggestion by one of the authors (P. v. R. S.) that he develop a refinement of point group symmetry that would distinguish between structures with the same point group like the planar and perpendicular C2v geometries of 1,1-dilithioethylene. Y. Apeloig, P. von Ragú Schleyer, J. S. Binkley, and J. A. Pople, J. Am. Chem. Soc. 98, 4332 (1976).
  • 32
    • 0343070968 scopus 로고    scopus 로고
    • Indeed, this work of Pople was spurred by a suggestion by one of the authors (P. v. R. S.) that he develop a refinement of point group symmetry that would distinguish between structures with the same point group like the planar and perpendicular C2v geometries of 1,1-dilithioethylene. Y. Apeloig, P. von Ragú Schleyer, J. S. Binkley, and J. A. Pople, J. Am. Chem. Soc. 98, 4332 (1976).
    • (1976) J. Am. Chem. Soc. , vol.98 , pp. 4332
    • Apeloig, Y.1    Von Ragú Schleyer, P.2    Binkley, J.S.3    Pople, J.A.4
  • 52
    • 33947304571 scopus 로고    scopus 로고
    • T. P. Straatsma, E. Apra, T. L. Windus, NWCHEM, a computational chemistry package for parallel computers, Version 4.6, Pacific Northwest National Laboratory, Richland, WA, 2004.
    • (2004)
    • Straatsma, T.P.1    Apra, E.2    Windus, T.L.3
  • 63
    • 84990669584 scopus 로고    scopus 로고
    • J. Almlöf, and P. R. Taylor MOLECULE, P. R. Taylor PROPS, and T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen ABACUS. See also J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett
    • J. F. Stanton, J. Gauss, J. D. Watts, and the integral packages: J. Almlöf, and P. R. Taylor MOLECULE, P. R. Taylor PROPS, and T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen ABACUS. See also J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett Int. J. Quantum Chem., Symp. 26, 879 (1992). Current version see http://www.aces2.de
    • (1992) Int. J. Quantum Chem., Symp. , vol.26 , pp. 879
    • Stanton, J.F.1    Gauss, J.2    Watts, J.D.3
  • 64
    • 84990669584 scopus 로고    scopus 로고
    • J. F. Stanton, J. Gauss, J. D. Watts, and the integral packages: J. Almlöf, and P. R. Taylor MOLECULE, P. R. Taylor PROPS, and T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen ABACUS. See also J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett Int. J. Quantum Chem., Symp. 26, 879 (1992). Current version see http://www.aces2.de
    • (1992) Int. J. Quantum Chem., Symp. , vol.26 , pp. 879
    • Stanton, J.F.1    Gauss, J.2    Watts, J.D.3    Lauderdale, W.J.4    Bartlett, R.J.5
  • 65
    • 84990669584 scopus 로고    scopus 로고
    • J. F. Stanton, J. Gauss, J. D. Watts, and the integral packages: J. Almlöf, and P. R. Taylor MOLECULE, P. R. Taylor PROPS, and T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen ABACUS. See also J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett Int. J. Quantum Chem., Symp. 26, 879 (1992). Current version see http://www.aces2.de


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.