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Volumn 111, Issue 6, 1999, Pages 2565-2587

A new six-dimensional analytical potential up to chemically significant energies for the electronic ground state of hydrogen peroxide

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EID: 0001557769     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.479534     Document Type: Article
Times cited : (174)

References (145)
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    • and whole Discussion volume "Intramolecular Kinetics"
    • C. S. Parmenter, Faraday Discuss. Chem. Soc. 75, 7 (1983), and whole Discussion volume "Intramolecular Kinetics."
    • (1983) Faraday Discuss. Chem. Soc. , vol.75 , pp. 7
    • Parmenter, C.S.1
  • 3
    • 0001669757 scopus 로고
    • Proceedings of the Berlin Conference on Femtosecond Chemistry, Berlin (March 1993), edited by J. Manz and L. Woeste Verlag Chemie, Weinheim, Chap. 27
    • M. Quack, in Femtosecond Chemistry, Proceedings of the Berlin Conference on Femtosecond Chemistry, Berlin (March 1993), edited by J. Manz and L. Woeste (Verlag Chemie, Weinheim, 1994), Chap. 27, pp. 781-818.
    • (1994) Femtosecond Chemistry , pp. 781-818
    • Quack, M.1
  • 45
    • 0000637946 scopus 로고    scopus 로고
    • edited by P. von Ragué Schleyer, N. Allinger, T. Clark, P. A. Kollman, and H. F. Schaefer III Wiley, New York
    • M. Quack and J. Troe, in Encyclopedia of Computational Chemistry, edited by P. von Ragué Schleyer, N. Allinger, T. Clark, P. A. Kollman, and H. F. Schaefer III (Wiley, New York, 1998), Vol. 4, p. 2708.
    • (1998) Encyclopedia of Computational Chemistry , vol.4 , pp. 2708
    • Quack, M.1    Troe, J.2
  • 62
    • 0002400808 scopus 로고    scopus 로고
    • edited by J. Chela-Flores and F. Raulin Kluwer, Dordrecht
    • A. A. Bakasov, T.-K. Ha, and M. Quack, in Physics of the Origin and Evolution of Life, edited by J. Chela-Flores and F. Raulin (Kluwer, Dordrecht, 1996), p. 287; J. Chem. Phys. 109, 7263 (1998); 110, 6081 (1999).
    • (1996) Physics of the Origin and Evolution of Life , pp. 287
    • Bakasov, A.A.1    Ha, T.-K.2    Quack, M.3
  • 63
    • 2242452988 scopus 로고    scopus 로고
    • A. A. Bakasov, T.-K. Ha, and M. Quack, in Physics of the Origin and Evolution of Life, edited by J. Chela-Flores and F. Raulin (Kluwer, Dordrecht, 1996), p. 287; J. Chem. Phys. 109, 7263 (1998); 110, 6081 (1999).
    • (1998) J. Chem. Phys. , vol.109 , pp. 7263
  • 64
    • 0001507410 scopus 로고    scopus 로고
    • A. A. Bakasov, T.-K. Ha, and M. Quack, in Physics of the Origin and Evolution of Life, edited by J. Chela-Flores and F. Raulin (Kluwer, Dordrecht, 1996), p. 287; J. Chem. Phys. 109, 7263 (1998); 110, 6081 (1999).
    • (1999) J. Chem. Phys. , vol.110 , pp. 6081
  • 98
    • 85034533311 scopus 로고    scopus 로고
    • note
    • See AIP Document No. PAPS JCPSA6-111-302905 for 135 pages including 3 tables (3 pages) with optimized potential parameters, a table (33 pages) of all 2639 ab initio points (geometry, pair interaction energy, weighting factor, deviation from analytical fit) that were included in the fit, a table (73 pages) of the 5939 ab initio points (geometry, pair interaction energy) not included in the fit, and a hardcopy of the FORTRAN source code (25 pages) of the analytical representations. Order by PAPS number in the journal reference from American Institute of Physics, Physics Auxiliary Publication Service, Suite 1NO1, 2 Huntington Quadrangle, Melville, NY 11747-4502. Fax: 516-576-2223, e-mail: paps@aip.org. The price is $1.50 for each microfiche (98 pages) or $5.00 for photocopies of up to 30 pages, and $0.15 for each additional page over 30 pages. Airmail additional. Make checks payable to the American Institute of Physics.
  • 128
    • 0001425115 scopus 로고    scopus 로고
    • B. Fehrensen, D. Luckhaus, and M. Quack, Chem. Phys. Lett. 300, 312 (1999); Z. Phys. Chem. 209, 1 (1999).
    • (1999) Z. Phys. Chem. , vol.209 , pp. 1
  • 131
    • 4243143157 scopus 로고
    • see this reference also for the history of the local mode concept
    • M. Quack, Annu. Rev. Phys. Chem. 41, 839 (1990), see this reference also for the history of the local mode concept.
    • (1990) Annu. Rev. Phys. Chem. , vol.41 , pp. 839
    • Quack, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.