메뉴 건너뛰기




Volumn 51, Issue 15, 2006, Pages 1804-1810

Vibrational properties of uracil

Author keywords

Semiempirical molecular dynamics; Uracil; Vibrational property

Indexed keywords


EID: 33947303024     PISSN: 14336863     EISSN: 18619541     Source Type: Book Series    
DOI: 10.1007/s11434-006-2053-9     Document Type: Article
Times cited : (3)

References (22)
  • 1
    • 1842688206 scopus 로고    scopus 로고
    • Acculate vibrational spectra of large molecules by density functional computations beyond the harmonic approximation: The case of uracil and 2-thiouracil
    • Barone V, Festa G, Grandi A, et al. Acculate vibrational spectra of large molecules by density functional computations beyond the harmonic approximation: The case of uracil and 2-thiouracil. Chem Phys Lett, 2004, 388: 279-283
    • (2004) Chem Phys Lett , vol.388 , pp. 279-283
    • Barone, V.1    Festa, G.2    Grandi, A.3
  • 2
    • 0037696564 scopus 로고    scopus 로고
    • Structure and conformational flexibility of uracil: A comprehensive study of performance of the MP2, B3LYP and SCC-DFTB methods
    • Shishkin O V, Gorb L, Luzanov A V, et al. Structure and conformational flexibility of uracil: A comprehensive study of performance of the MP2, B3LYP and SCC-DFTB methods. J Mol Str (Theochem), 2003, 625:295-303
    • (2003) J Mol Str (Theochem) , vol.625 , pp. 295-303
    • Shishkin, O.V.1    Gorb, L.2    Luzanov, A.V.3
  • 3
    • 0035972669 scopus 로고    scopus 로고
    • Analysis of uracil hydration by means of vibrational spectroscopy and density functional calculations
    • Gaigeot M-P, Kadri C, Ghomi M. Analysis of uracil hydration by means of vibrational spectroscopy and density functional calculations. J Mol Str, 2001, 565-566: 469-473
    • (2001) J Mol Str , vol.565-566 , pp. 469-473
    • Gaigeot, M.-P.1    Kadri, C.2    Ghomi, M.3
  • 4
    • 0036681388 scopus 로고    scopus 로고
    • Theoretical DFT and experimental NMR studies on uracil and 5-fluorouracil
    • Blicharska B, Kupka T. Theoretical DFT and experimental NMR studies on uracil and 5-fluorouracil. J Mol Str, 2002, 613: 153-166
    • (2002) J Mol Str , vol.613 , pp. 153-166
    • Blicharska, B.1    Kupka, T.2
  • 5
    • 0031585970 scopus 로고    scopus 로고
    • The infrared spectra of uracil, thymine, and adenine in the gas phase
    • Colarusso P, Zhang K Q, Guo B J, et al. The infrared spectra of uracil, thymine, and adenine in the gas phase. Chem Phys Lett, 1997, 269:39-48
    • (1997) Chem Phys Lett , vol.269 , pp. 39-48
    • Colarusso, P.1    Zhang, K.Q.2    Guo, B.J.3
  • 6
    • 0037123853 scopus 로고    scopus 로고
    • The hydration effect on the uracil frequencies: An experimental and quantum chemical study
    • Palafox M A, Iza N, Gil M. The hydration effect on the uracil frequencies: An experimental and quantum chemical study. J Mol Str (Theochem), 2002, 585: 69-92
    • (2002) J Mol Str (Theochem) , vol.585 , pp. 69-92
    • Palafox, M.A.1    Iza, N.2    Gil, M.3
  • 7
    • 33751061034 scopus 로고    scopus 로고
    • Electron-correlated calculation of electric properties of nucleic acid bases
    • Johnson R C, Power T D, Holt J S, et al. Electron-correlated calculation of electric properties of nucleic acid bases. J Phys Chem, 1996, 100: 18875-18881
    • (1996) J Phys Chem , vol.100 , pp. 18875-18881
    • Johnson, R.C.1    Power, T.D.2    Holt, J.S.3
  • 8
    • 10044273966 scopus 로고    scopus 로고
    • Promoting vibrations in human purine nucleoside phosphorylase: A molecular dynamics and hybrid quantum mechanical/molecular mechanical study
    • Nunez S D, Antoniou V, Schramm L, et al. Promoting vibrations in human purine nucleoside phosphorylase: A molecular dynamics and hybrid quantum mechanical/molecular mechanical study. J Am Chem Soc, 2004, 126: 15720-15729
    • (2004) J Am Chem Soc , vol.126 , pp. 15720-15729
    • Nunez, S.D.1    Antoniou, V.2    Schramm, L.3
  • 9
    • 19644391375 scopus 로고    scopus 로고
    • Molecular dynamics simulation of clustered DNA damage sites containing 8-oxoguanine and abasic site
    • Fujimoto H, Pinak M, Nemoto T, et al. Molecular dynamics simulation of clustered DNA damage sites containing 8-oxoguanine and abasic site. J Comp Chem, 2005, 26: 788-798
    • (2005) J Comp Chem , vol.26 , pp. 788-798
    • Fujimoto, H.1    Pinak, M.2    Nemoto, T.3
  • 10
    • 0036023746 scopus 로고    scopus 로고
    • Molecular dynamics simulation of a DNA containing a single strand break
    • Yamaguchi H, Siebers J G, Furukawa A, et al. Molecular dynamics simulation of a DNA containing a single strand break, Radia Proc Dosi, 2002, 99:103-108
    • (2002) Radia Proc Dosi , vol.99 , pp. 103-108
    • Yamaguchi, H.1    Siebers, J.G.2    Furukawa, A.3
  • 11
    • 4444351490 scopus 로고    scopus 로고
    • Empirical force fields for biological macromolecules: Overview and issues
    • Mackereli A D. Empirical force fields for biological macromolecules: Overview and issues. J Comp Chem, 2004, 25: 1584-1600
    • (2004) J Comp Chem , vol.25 , pp. 1584-1600
    • Mackereli, A.D.1
  • 12
    • 0029633186 scopus 로고
    • AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
    • Pearlman D A, Case D A, Caldwell J W, et al. AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules. Comp Phys Comm, 1995, 91: 1-41
    • (1995) Comp Phys Comm , vol.91 , pp. 1-41
    • Pearlman, D.A.1    Case, D.A.2    Caldwell, J.W.3
  • 13
    • 0021757436 scopus 로고
    • A new force field for molecular mechanics simulation of nucleic acids and proteins
    • Weiner S J, Kollman P A, Case D. A, et al. A new force field for molecular mechanics simulation of nucleic acids and proteins. J Am Chem Soc, 1984, 106: 765-784
    • (1984) J Am Chem Soc , vol.106 , pp. 765-784
    • Weiner, S.J.1    Kollman, P.A.2    Case, D.A.3
  • 17
    • 0000316429 scopus 로고    scopus 로고
    • Vibrational properties of sodium microclusters
    • Zhang F S, Suraud E, Calvo F, et al. Vibrational properties of sodium microclusters. Chem Phys Lett, 1999, 300: 595-602
    • (1999) Chem Phys Lett , vol.300 , pp. 595-602
    • Zhang, F.S.1    Suraud, E.2    Calvo, F.3
  • 19
    • 0001731174 scopus 로고
    • FT-IR spectroscopic study of uracil derivatives and their hydrogen bonded complexes with proton donors (II):. Monomer IR absorptions of thiouracils and 5-halogeno-uracils in argon matrixes
    • Graindourze M, Grootaers T, Smets J, et al. FT-IR spectroscopic study of uracil derivatives and their hydrogen bonded complexes with proton donors (II):. Monomer IR absorptions of thiouracils and 5-halogeno-uracils in argon matrixes. J Mol Str, 1990, 237: 389 -410
    • (1990) J Mol Str , vol.237 , pp. 389-410
    • Graindourze, M.1    Grootaers, T.2    Smets, J.3
  • 20
    • 0000204737 scopus 로고
    • Scaled quantum mechanical force fields and vibrational spectra of solid state nucleic acid constituents (V): Thymine and uracil
    • Florian J, Hrouda V. Scaled quantum mechanical force fields and vibrational spectra of solid state nucleic acid constituents (V): Thymine and uracil. Spectrochim Acta, 1993, 49A: 921-938
    • (1993) Spectrochim Acta , vol.49 A , pp. 921-938
    • Florian, J.1    Hrouda, V.2
  • 21
    • 0036484741 scopus 로고    scopus 로고
    • Quantum chemical predictions of the vibrational spectra of polyatomic molecules: The uracil molecule and two derivatives
    • Palafox M A, Rastogi V K. Quantum chemical predictions of the vibrational spectra of polyatomic molecules: The uracil molecule and two derivatives. Spectrochim. Acta, Part A, 2002, 58: 411- 446
    • (2002) Spectrochim. Acta, Part A , vol.58 , pp. 411-446
    • Palafox, M.A.1    Rastogi, V.K.2
  • 22
    • 0037596661 scopus 로고    scopus 로고
    • Solvent-induced symmetry breaking
    • Zhang F S, Lynden-Bell R M. Solvent-induced symmetry breaking. Phys Rev Lett, 2003, 90: 185505
    • (2003) Phys Rev Lett , vol.90 , pp. 185505
    • Zhang, F.S.1    Lynden-Bell, R.M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.