메뉴 건너뛰기




Volumn 131, Issue 13, 2009, Pages

Theoretical investigation of the potential energy surface of the van der Waals complex CH4-N2

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC; BASIS SETS; CCSD; ENERGY SURFACE; EXCITED VIBRATIONAL STATE; FITTING PARAMETERS; INTERACTING MOLECULES; INTERACTION POTENTIALS; INTERMOLECULAR SEPARATIONS; LENNARD JONES; MOLECULAR DEFORMATIONS; MP2 LEVELS; ROTATIONAL CONSTANTS; STABLE CONFIGURATION; THEORETICAL INVESTIGATIONS; VAN DER WAALS; VAN DER WAALS COMPLEX; VIBRATIONAL FREQUENCIES;

EID: 70350448275     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3242080     Document Type: Article
Times cited : (17)

References (47)
  • 3
    • 0347597580 scopus 로고
    • 0019-1035, 10.1016/0019-1035(82)90140-3
    • R. Courtin, Icarus 0019-1035 51, 466 (1982). 10.1016/0019-1035(82)90140-3
    • (1982) Icarus , vol.51 , pp. 466
    • Courtin, R.1
  • 4
    • 0010865913 scopus 로고
    • 0019-1035, 10.1016/0019-1035(88)90004-8
    • R. Courtin, Icarus 0019-1035 75, 245 (1988). 10.1016/0019-1035(88)90004-8
    • (1988) Icarus , vol.75 , pp. 245
    • Courtin, R.1
  • 13
    • 0000828847 scopus 로고
    • 0019-1035, 10.1016/0019-1035(92)90127-S
    • W. Reid Thompson, J. A. Zollweg, and D. H. Gabis, Icarus 0019-1035 97, 187 (1992). 10.1016/0019-1035(92)90127-S
    • (1992) Icarus , vol.97 , pp. 187
    • Thompson, W.R.1    Zollweg, J.A.2    Gabis, D.H.3
  • 14
    • 0001286225 scopus 로고
    • 0019-1035, 10.1006/icar.1993.1117
    • A. Borysow and C. Tang, Icarus 0019-1035 105, 175 (1993). 10.1006/icar.1993.1117
    • (1993) Icarus , vol.105 , pp. 175
    • Borysow, A.1    Tang, C.2
  • 15
    • 58149365832 scopus 로고
    • 0019-1035, 10.1006/icar.1995.1050
    • R. Courtin, D. Gautier, and C. P. McKay, Icarus 0019-1035 114, 144 (1995). 10.1006/icar.1995.1050
    • (1995) Icarus , vol.114 , pp. 144
    • Courtin, R.1    Gautier, D.2    McKay, C.P.3
  • 16
    • 30244514190 scopus 로고    scopus 로고
    • Elemental composition, solubility, and optical properties of Titan's organic haze
    • DOI 10.1016/0032-0633(96)00009-8, PII S0032063396000098
    • C. P. McKay, Planet. Space Sci. 0032-0633 44, 741 (1996). 10.1016/0032-0633(96)00009-8 (Pubitemid 126358891)
    • (1996) Planetary and Space Science , vol.44 , Issue.8 , pp. 741-747
    • McKay, C.P.1
  • 19
    • 14044250827 scopus 로고    scopus 로고
    • 2 in the atmosphere of Titan probed via 3 μm spectroscopy
    • DOI 10.1016/j.icarus.2004.09.006, PII S0019103504003148
    • S. J. Kim, T. R. Geballe, K. S. Noll, and R. Courtin, Icarus 0019-1035 173, 522 (2005). 10.1016/j.icarus.2004.09.006 (Pubitemid 40280393)
    • (2005) Icarus , vol.173 , Issue.2 , pp. 522-532
    • Kim, S.J.1    Geballe, T.R.2    Noll, K.S.3    Courtin, R.4
  • 22
    • 33746614482 scopus 로고
    • 0021-9606, 10.1063/1.456153
    • T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 90, 1007 (1989). 10.1063/1.456153
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007
    • Dunning Jr., T.H.1
  • 24
    • 23444462078 scopus 로고    scopus 로고
    • A post-Hartree-Fock model of intermolecular interactions
    • DOI 10.1063/1.1949201, 024101
    • E. R. Johnson and A. D. Becke, J. Chem. Phys. 0021-9606 123, 024101 (2005). 10.1063/1.1949201 (Pubitemid 41107698)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.2 , pp. 1-7
    • Johnson, E.R.1    Becke, A.D.2
  • 25
    • 34547554568 scopus 로고    scopus 로고
    • 0021-9606, 10.1063/1.2190220
    • E. R. Johnson and A. D. Becke, J. Chem. Phys. 0021-9606 124, 174104 (2006). 10.1063/1.2190220
    • (2006) J. Chem. Phys. , vol.124 , pp. 174104
    • Johnson, E.R.1    Becke, A.D.2
  • 27
    • 84890021933 scopus 로고
    • 0026-8976, 10.1080/00268977000101561
    • S. F. Boys and F. Bernardi, Mol. Phys. 0026-8976 19, 553 (1970). 10.1080/00268977000101561
    • (1970) Mol. Phys. , vol.19 , pp. 553
    • Boys, S.F.1    Bernardi, F.2
  • 28
    • 70350498356 scopus 로고    scopus 로고
    • GAUSSIAN 03, Revision D.02, Gaussian, Inc., Wallingford CT.
    • M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision D.02, Gaussian, Inc., Wallingford CT, 2004.
    • (2004)
    • Frisch, M.J.1    Trucks, G.W.2    Schlegel, H.B.3
  • 29
  • 30
    • 0347007668 scopus 로고
    • 0021-9606, 10.1063/1.462652
    • D. Feller, J. Chem. Phys. 0021-9606 96, 6104 (1992). 10.1063/1.462652
    • (1992) J. Chem. Phys. , vol.96 , pp. 6104
    • Feller, D.1
  • 31
    • 0002347059 scopus 로고    scopus 로고
    • 0009-2614, 10.1016/S0009-2614(98)00866-5
    • D. G. Truhlar, Chem. Phys. Lett. 0009-2614 294, 45 (1998). 10.1016/S0009-2614(98)00866-5
    • (1998) Chem. Phys. Lett. , vol.294 , pp. 45
    • Truhlar, D.G.1
  • 32
    • 0030582278 scopus 로고    scopus 로고
    • 0009-2614, 10.1016/0009-2614(96)00898-6
    • J. M. L. Martin, Chem. Phys. Lett. 0009-2614 259, 669 (1996). 10.1016/0009-2614(96)00898-6
    • (1996) Chem. Phys. Lett. , vol.259 , pp. 669
    • Martin, J.M.L.1
  • 35
    • 84986849001 scopus 로고
    • 0377-0486, 10.1002/jrs.1250020204
    • J. Bendtsen, J. Raman Spectrosc. 0377-0486 2, 133 (1974). 10.1002/jrs.1250020204
    • (1974) J. Raman Spectrosc. , vol.2 , pp. 133
    • Bendtsen, J.1
  • 36
    • 70350491789 scopus 로고    scopus 로고
    • See EPAPS supplementary material at E-JCPSA6-131-006939 for the energies calculated at the CCSD(T)/aug-cc-pVTZ level of theory with BSSE correction.
    • See EPAPS supplementary material at http://dx.doi.org/10.1063/1.3242080 E-JCPSA6-131-006939 for the energies calculated at the CCSD(T)/aug-cc-pVTZ level of theory with BSSE correction.
  • 39
    • 0001296092 scopus 로고    scopus 로고
    • 0021-9606, 10.1063/1.480336
    • D. Spelsberg and W. Meyer, J. Chem. Phys. 0021-9606 111, 9618 (1999). 10.1063/1.480336
    • (1999) J. Chem. Phys. , vol.111 , pp. 9618
    • Spelsberg, D.1    Meyer, W.2
  • 40
  • 41
    • 70350476177 scopus 로고    scopus 로고
    • MINPACK, available online at.
    • MINPACK, available online at http://www.netlib.org/minpack/.
  • 42
    • 22944477761 scopus 로고    scopus 로고
    • Anharmonic vibrational properties by a fully automated second-order perturbative approach
    • DOI 10.1063/1.1824881, 014108
    • V. Barone, J. Chem. Phys. 0021-9606 122, 014108 (2005). 10.1063/1.1824881 (Pubitemid 41047751)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.1 , pp. 1-10
    • Barone, V.1
  • 44
    • 0037425881 scopus 로고    scopus 로고
    • 0021-9606, 10.1063/1.1535443
    • G. Maroulis, J. Chem. Phys. 0021-9606 118, 2673 (2003). 10.1063/1.1535443
    • (2003) J. Chem. Phys. , vol.118 , pp. 2673
    • Maroulis, G.1
  • 45
    • 25744474788 scopus 로고
    • 0009-2614, 10.1016/0009-2614(94)00719-5
    • G. Maroulis, Chem. Phys. Lett. 0009-2614 226, 420 (1994). 10.1016/0009-2614(94)00719-5
    • (1994) Chem. Phys. Lett. , vol.226 , pp. 420
    • Maroulis, G.1
  • 46
    • 0002982922 scopus 로고
    • 0026-8976, 10.1080/00268977900101511
    • R. D. Amos, Mol. Phys. 0026-8976 38, 33 (1979). 10.1080/00268977900101511
    • (1979) Mol. Phys. , vol.38 , pp. 33
    • Amos, R.D.1
  • 47
    • 0347247249 scopus 로고    scopus 로고
    • 0021-9606, 10.1063/1.472720
    • G. Maroulis, J. Chem. Phys. 0021-9606 105, 8467 (1996). 10.1063/1.472720
    • (1996) J. Chem. Phys. , vol.105 , pp. 8467
    • Maroulis, G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.