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Volumn 5, Issue 1, 2009, Pages 200-207

Simulation of vibrational spectra of large molecules by arbitrary time propagation

Author keywords

[No Author keywords available]

Indexed keywords


EID: 61449202956     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct800298n     Document Type: Article
Times cited : (9)

References (50)
  • 4
    • 0041413204 scopus 로고    scopus 로고
    • Haris, P. I. Fourier Transform Infrared Spectroscopic Studies of Peptides: Potentials and Pitfalls. In Infrared Analysis of Peptides and Proteins: Principles and Applications. ACS Symposium Series; Ram Singh, B., Ed.; ACS: Washington, DC, 2000; pp 54-95.
    • (b) Haris, P. I. Fourier Transform Infrared Spectroscopic Studies of Peptides: Potentials and Pitfalls. In Infrared Analysis of Peptides and Proteins: Principles and Applications. ACS Symposium Series; Ram Singh, B., Ed.; ACS: Washington, DC, 2000; pp 54-95.
  • 6
    • 85130650550 scopus 로고    scopus 로고
    • Vibrational circular dichroism of biopolymers. Summary of methods and applications
    • Braiman, M, Gregoriou, V, Eds, CRC Press: Boca Raton
    • Keiderling, T. A.; Kubelka, J.; Hilario, J., Vibrational circular dichroism of biopolymers. Summary of methods and applications. In Vibrational spectroscopy of polymers and biological systems; Braiman, M., Gregoriou, V., Eds.; CRC Press: Boca Raton, 2006; pp 253-324.
    • (2006) Vibrational spectroscopy of polymers and biological systems , pp. 253-324
    • Keiderling, T.A.1    Kubelka, J.2    Hilario, J.3
  • 28
    • 61449120446 scopus 로고    scopus 로고
    • vanderVorst, H. A. Iterative Krylov Methods for Large Linear Systems; Cambridge University Press: Cambridge, 2003.
    • vanderVorst, H. A. Iterative Krylov Methods for Large Linear Systems; Cambridge University Press: Cambridge, 2003.
  • 37
    • 0002836982 scopus 로고    scopus 로고
    • Vibrational optical activity theory
    • 2nd ed, Berova, N, Nakanishi, K, Woody, R. W, Eds, Wiley-VCH: New York
    • (d) Nafie, L. A.; Freedman, T. B. Vibrational optical activity theory. In Circular Dichroism. Principles and Applications, 2nd ed.; Berova, N., Nakanishi, K., Woody, R. W., Eds.; Wiley-VCH: New York, 2000; pp 97-131.
    • (2000) Circular Dichroism. Principles and Applications , pp. 97-131
    • Nafie, L.A.1    Freedman, T.B.2
  • 44
  • 45
    • 61449096949 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keit
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision C.02; Gaussian, Inc.; Wallingford, CT, 2004.
  • 49
    • 61449122431 scopus 로고
    • 2-D Infrared-Spectroscopy
    • Mar 26, pp
    • Palmer, R. A. 2-D Infrared-Spectroscopy Chem. Eng. News 1990; Mar 26, pp 6175-6185.
    • (1990) Chem. Eng. News , pp. 6175-6185
    • Palmer, R.A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.