메뉴 건너뛰기




Volumn 3, Issue 3, 2007, Pages 746-754

Improved meta-GGA correlation functional of the lap family

Author keywords

[No Author keywords available]

Indexed keywords


EID: 36148937834     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct600372t     Document Type: Article
Times cited : (10)

References (70)
  • 10
    • 36148963343 scopus 로고    scopus 로고
    • Ph.D. Thesis, Université de Montréal, Montreal
    • Sirois, S. Ph.D. Thesis, Université de Montréal, Montreal, 1996.
    • (1996)
    • Sirois, S.1
  • 11
    • 0011081816 scopus 로고    scopus 로고
    • Density Functional Theory and its application to hydrogen bonded systems
    • Dusan Hadzi, D, Ed, Wiley: New York
    • Guo, H.; Sirois, S.; Proynov, E. I.; Salahub, D. R. Density Functional Theory and its application to hydrogen bonded systems. In Theoretical Treatments of Hydrogen Bonding; Dusan Hadzi, D., Ed.; Wiley: New York, 1997; pp 49-74.
    • (1997) Theoretical Treatments of Hydrogen Bonding , pp. 49-74
    • Guo, H.1    Sirois, S.2    Proynov, E.I.3    Salahub, D.R.4
  • 12
    • 0042914692 scopus 로고    scopus 로고
    • Improving the functionals, extending the applications
    • Transition State Modeling for Catalysis; Truhlar, D. G, Morokuma, K, Eds, American Chemical Society: Washington, DC
    • Salahub, D. R.; Chretien, S.; Milet, A.; Proynov, E. Improving the functionals, extending the applications. In Transition State Modeling for Catalysis; Truhlar, D. G., Morokuma, K., Eds.; American Chemical Society: Washington, DC, 1999; ACS Series 721, pp 20-32.
    • (1999) ACS Series , vol.721 , pp. 20-32
    • Salahub, D.R.1    Chretien, S.2    Milet, A.3    Proynov, E.4
  • 14
    • 36148941773 scopus 로고    scopus 로고
    • Grüning, M. Ph.D. Thesis, Vrije Universiteit, Amsterdam, 2003.
    • Grüning, M. Ph.D. Thesis, Vrije Universiteit, Amsterdam, 2003.
  • 31
    • 77957074434 scopus 로고
    • Nonlocal density functionals for exchange and correlation: Theory and applications
    • Seminario, J. M, Politzer, P, Eds, Elsevier: Amsterdam, The Netherlands
    • Burke, K.; Perdew, J. P.; Levy, M. Nonlocal density functionals for exchange and correlation: Theory and applications. In Modern Density Functional Theory. A Tool for Chemistry; Seminario, J. M., Politzer, P., Eds.; Elsevier: Amsterdam, The Netherlands, 1995; p 29.
    • (1995) Modern Density Functional Theory. A Tool for Chemistry , pp. 29
    • Burke, K.1    Perdew, J.P.2    Levy, M.3
  • 46
    • 36148973620 scopus 로고    scopus 로고
    • Casida, M. E.; Daul, C. A.; Goursot, A.; Koester, A.; Petterson, L.; Proynov, E.; St-Amant, A.; Salahub, D. R. (principal authors). Duarte, H.; Godbout, N.; Guan, J.; Jamorski, C.; Leboeuf, M.; Malkin, V.; Malkina, O.; Sim, F.; Vela, A. (contributing authors) deMon Software- deMon-KS3 Module; University of Montreal: Montreal, QC, 1996.
    • Casida, M. E.; Daul, C. A.; Goursot, A.; Koester, A.; Petterson, L.; Proynov, E.; St-Amant, A.; Salahub, D. R. (principal authors). Duarte, H.; Godbout, N.; Guan, J.; Jamorski, C.; Leboeuf, M.; Malkin, V.; Malkina, O.; Sim, F.; Vela, A. (contributing authors) deMon Software- deMon-KS3 Module; University of Montreal: Montreal, QC, 1996.
  • 47
    • 33746563448 scopus 로고    scopus 로고
    • Shao, Y, Fusti-Molnar, L, Jung, Y, Kussmann, J, Ochsenfeld, C, Brown, S. T, Gilbert, A. T. B, Slipchenko, L. V, Levchenko, S. V, O'Neill, D. P, DiStasio, R. A, Jr, Lochan, R. C, Wang, T, Beran, G. J. O, Besley, N. A, Herbert, J. M, Lin, C. Y, Van Voorhis, T, Chien, S. H, Sodt, A, Steele, R. P, Rassolov, V. A, Maslen, P. E, Korambath, P. P, Adamson, R. D, Austin, B, Baker, J, Byrd, E. F. C, Dachsel, H, Doerksen, R. J, Dreuw, A, Dunietz, B. D, Dutoi, A. D, Furlani, T. R, Gwaltney, S. R, Heyden, A, Hirata, S, Hsu, C. P, Kedziora, G, Khalliulin, R. Z, Klunzinger, P, Lee, A. M, Lee, M. S, Liang, W, Lotan, I, Nair, N, Peters, B, Proynov, E. I, Pieniazek, P. A, Rhee, Y. M, Ritchie, J, Rosta, E, Sherrill, C. D, Simmonett, A. C, Subotnik, J. E, Woodcock, H. J, III; Zhang, W, Bell, A. T, Chakraborty, A. K, Chipman, D. M, Keil, F. J, Warshel, A, Hehre, W. J, Schaefer, H. F, III; Kong, J, Krylov, A. I, Gill, P. M. W, Head-Gordon
    • Shao, Y.; Fusti-Molnar, L.; Jung, Y.; Kussmann, J.; Ochsenfeld, C.; Brown, S. T.; Gilbert, A. T. B.; Slipchenko, L. V.; Levchenko, S. V.; O'Neill, D. P.; DiStasio, R. A., Jr.; Lochan, R. C.; Wang, T.; Beran, G. J. O.; Besley, N. A.; Herbert, J. M.; Lin, C. Y.; Van Voorhis, T.; Chien, S. H.; Sodt, A.; Steele, R. P.; Rassolov, V. A.; Maslen, P. E.; Korambath, P. P.; Adamson, R. D.; Austin, B.; Baker, J.; Byrd, E. F. C.; Dachsel, H.; Doerksen, R. J.; Dreuw, A.; Dunietz, B. D.; Dutoi, A. D.; Furlani, T. R.; Gwaltney, S. R.; Heyden, A.; Hirata, S.; Hsu, C. P.; Kedziora, G.; Khalliulin, R. Z.; Klunzinger, P.; Lee, A. M.; Lee, M. S.; Liang, W.; Lotan, I.; Nair, N.; Peters, B.; Proynov, E. I.; Pieniazek, P. A.; Rhee, Y. M.; Ritchie, J.; Rosta, E.; Sherrill, C. D.; Simmonett, A. C.; Subotnik, J. E.; Woodcock, H. J., III; Zhang, W.; Bell, A. T.; Chakraborty, A. K.; Chipman, D. M.; Keil, F. J.; Warshel, A.; Hehre, W. J.; Schaefer, H. F., III; Kong, J.; Krylov, A. I.; Gill, P. M. W.; Head-Gordon, M. Phys. Chem. Chem. Phys. 2006, 8, 3172.
  • 67
    • 36148966620 scopus 로고
    • Structure Data of Free Polyatomic Molecules
    • Hellwege, K. H, Hellwege, A. M, Eds, Landolt-Börnstein, Group II, Springer: Berlin, Germany
    • Structure Data of Free Polyatomic Molecules; Hellwege, K. H., Hellwege, A. M., Eds.; Landolt-Börnstein, New Series, Group II, Springer: Berlin, Germany, 1979; Vol. 7, pp 3-250.
    • (1979) New Series , vol.7 , pp. 3-250


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.