메뉴 건너뛰기




Volumn 3980 LNCS, Issue , 2006, Pages 721-730

Atom-bond additive potentials for benzene-rare gas clusters

Author keywords

[No Author keywords available]

Indexed keywords

ADDITIVES; BENZENE; MATHEMATICAL MODELS; MOLECULAR DYNAMICS;

EID: 33745967503     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/11751540_76     Document Type: Conference Paper
Times cited : (3)

References (29)
  • 1
    • 0001750508 scopus 로고
    • Model calculations of potential surfaces of van der Waals complexes containing large aromatic molecules
    • Ondrechen M. J., Berkovitch-Yellin Z., Jortner J.: Model calculations of potential surfaces of van der Waals complexes containing large aromatic molecules. J. Am. Chem. Soc., 103 (1981) 6586-6592.
    • (1981) J. Am. Chem. Soc. , vol.103 , pp. 6586-6592
    • Ondrechen, M.J.1    Berkovitch-Yellin, Z.2    Jortner, J.3
  • 2
    • 36449008949 scopus 로고
    • Structure, dynamics, and the electronic absorption of benzene argon clusters
    • Fried L. E., Mukamel S.: Structure, dynamics, and the electronic absorption of benzene argon clusters. J. Chem. Phys., 96 (1991) 116-135.
    • (1991) J. Chem. Phys. , vol.96 , pp. 116-135
    • Fried, L.E.1    Mukamel, S.2
  • 3
    • 36449006777 scopus 로고
    • Structural transitions in benzene-argon clusters: Size and temperature effects
    • Schmidt M., Le Calvè J., Mons M.: Structural transitions in benzene-argon clusters: size and temperature effects. J. Chem. Phys., 98 (1993) 6102-6120.
    • (1993) J. Chem. Phys. , vol.98 , pp. 6102-6120
    • Schmidt, M.1    Le Calvè, J.2    Mons, M.3
  • 4
    • 0000948563 scopus 로고
    • Intermolecular dynamics of benzene rare-gas complexes as derived frommicrowaves spectra
    • Brupbacher Th., Makarewicz J., Bauder A.: Intermolecular dynamics of benzene rare-gas complexes as derived frommicrowaves spectra. J. Chem. Phys., 101 (1994) 9736-9746.
    • (1994) J. Chem. Phys. , vol.101 , pp. 9736-9746
    • Brupbacher, Th.1    Makarewicz, J.2    Bauder, A.3
  • 6
    • 0001057336 scopus 로고    scopus 로고
    • Intermolecular potential effects in trajectory calculations of collisions between large highly excited molecules and noble gases
    • Lenzer T., Luther K.: Intermolecular potential effects in trajectory calculations of collisions between large highly excited molecules and noble gases. J. Chem. Phys., 105 (1996) 10944-10953.
    • (1996) J. Chem. Phys. , vol.105 , pp. 10944-10953
    • Lenzer, T.1    Luther, K.2
  • 8
    • 0031079005 scopus 로고    scopus 로고
    • New assignments in the UV spectroscopy of the small benzene-argon, clusters: The effects of a structure-selective vibrational predissociation
    • Mons M., Courty A., Schmidt M., Le Calvè J., Piuzzi F., Dimicoli I.: New assignments in the UV spectroscopy of the small benzene-argon, clusters: The effects of a structure-selective vibrational predissociation. J. Chem. Phys., 106 (1997) 1676-1686.
    • (1997) J. Chem. Phys. , vol.106 , pp. 1676-1686
    • Mons, M.1    Courty, A.2    Schmidt, M.3    Le Calvè, J.4    Piuzzi, F.5    Dimicoli, I.6
  • 9
    • 0001149557 scopus 로고    scopus 로고
    • Dynamics and energy release in benzene-Ar cluster dissociation
    • Bernshtein V., Oref I.: Dynamics and energy release in benzene-Ar cluster dissociation. J. Chem. Phys., 112 (2000) 686-697.
    • (2000) J. Chem. Phys. , vol.112 , pp. 686-697
    • Bernshtein, V.1    Oref, I.2
  • 10
    • 3042627838 scopus 로고    scopus 로고
    • Computational science-ICCS 2002, PT III
    • Proceedings Lecture Notes in Computer Science 2331
    • Riganelli A., Memelli M., Laganà A.: Computational Science-ICCS 2002, PT III, Proceedings Lecture Notes in Computer Science 2331. Lecture Notes in Comp. Science, 2331 (2002) 926-931.
    • (2002) Lecture Notes in Comp. Science , vol.2331 , pp. 926-931
    • Riganelli, A.1    Memelli, M.2    Laganà, A.3
  • 12
    • 0030043489 scopus 로고    scopus 로고
    • Cation-pi interactions in chemistry and biology: A new view of benzene, Phe, Tyr, and Trp
    • Dougherty D. A.: Cation-pi interactions in chemistry and biology: A new view of benzene, Phe, Tyr, and Trp. Science, 271 (1996) 163-168.
    • (1996) Science , vol.271 , pp. 163-168
    • Dougherty, D.A.1
  • 13
    • 24944591358 scopus 로고    scopus 로고
    • A molecular dynamics study of ion permeability through molecular pores
    • Arteconi L., Laganà A.: A molecular dynamics study of ion permeability through molecular pores. Lecture Notes in Comp. Science, 3480 (2005) 1093-1100.
    • (2005) Lecture Notes in Comp. Science , vol.3480 , pp. 1093-1100
    • Arteconi, L.1    Laganà, A.2
  • 14
    • 0000213148 scopus 로고
    • Structure and properties of benzene-containing molecular clusters - Nonempirical ab-initio calculations and experiments
    • Hobza P., Selzle H., Schlag E. W.: Structure and properties of benzene-containing molecular clusters - Nonempirical ab-initio calculations and experiments. Chem. Rev., 94 (1994) 1767-1785.
    • (1994) Chem. Rev. , vol.94 , pp. 1767-1785
    • Hobza, P.1    Selzle, H.2    Schlag, E.W.3
  • 15
    • 0000417163 scopus 로고
    • Ab-initio computations close to the one-particle basis-set limit on the weakly-bound van-der-Waals complexes benzene-neon and benzene-argon
    • Klopper W., Lüthi H. P., Brupbacher Th., Bauder A.: Ab-initio computations close to the one-particle basis-set limit on the weakly-bound van-der-Waals complexes benzene-neon and benzene-argon. J. Chem. Phys., 101 (1994) 9747-9754.
    • (1994) J. Chem. Phys. , vol.101 , pp. 9747-9754
    • Klopper, W.1    Lüthi, H.P.2    Brupbacher, Th.3    Bauder, A.4
  • 16
    • 0001187224 scopus 로고    scopus 로고
    • Ground state benzene-argon intermolecular potential energy surface
    • Koch H., Fernández B., Makariewicz J.: Ground state benzene-argon intermolecular potential energy surface. J. Chem. Phys., 111 (1999) 198-204.
    • (1999) J. Chem. Phys. , vol.111 , pp. 198-204
    • Koch, H.1    Fernández, B.2    Makariewicz, J.3
  • 17
    • 44949290186 scopus 로고
    • Atom atom potential parameters for vanderWaals complexez of aromatics and rare-gas atoms
    • Amos A. T., Frank Palmer T., Walters A., Burrows B. L.: Atom atom potential parameters for vanderWaals complexez of aromatics and rare-gas atoms. Chem. Phys. Lett., 172 (1990) 503-508.
    • (1990) Chem. Phys. Lett. , vol.172 , pp. 503-508
    • Amos, A.T.1    Frank Palmer, T.2    Walters, A.3    Burrows, B.L.4
  • 18
    • 0141937870 scopus 로고    scopus 로고
    • Preferential stabilization of different isomers of weakly bound complexes
    • Boucher D. S., Bradke M. D., Darr J. P., Loomis R. A.: Preferential stabilization of different isomers of weakly bound complexes. J. Phys. Chem. A, 107 (2003) 6901-6904.
    • (2003) J. Phys. Chem. A , vol.107 , pp. 6901-6904
    • Boucher, D.S.1    Bradke, M.D.2    Darr, J.P.3    Loomis, R.A.4
  • 19
    • 4043116270 scopus 로고    scopus 로고
    • Atom-bond pairwise additive representation for intermolecular potential energy surfaces
    • Pirani F., Albertí M., Castro A., Moix Teixidor M., Cappelletti D.: Atom-bond pairwise additive representation for intermolecular potential energy surfaces. Chem. Phys. Lett., 394 (2004) 37-44.
    • (2004) Chem. Phys. Lett. , vol.394 , pp. 37-44
    • Pirani, F.1    Albertí, M.2    Castro, A.3    Moix Teixidor, M.4    Cappelletti, D.5
  • 20
    • 3042537949 scopus 로고    scopus 로고
    • Properties of an atom-bond additive representation of the interaction for benzene-argon clusters
    • Albertí M., Castro A., Laganà A., Pirani F., Porrini M., Cappelletti D.: Properties of an atom-bond additive representation of the interaction for benzene-argon clusters. Chem. Phys. Lett., 392 (2004) 514-520.
    • (2004) Chem. Phys. Lett. , vol.392 , pp. 514-520
    • Albertí, M.1    Castro, A.2    Laganà, A.3    Pirani, F.4    Porrini, M.5    Cappelletti, D.6
  • 21
    • 0035931012 scopus 로고    scopus 로고
    • Range, strength and anisotropy of intermolecular forces in atom-molecule systems: An atom-bond pairwise additivity approach
    • Pirani F., Cappelletti D., Liuti G.: Range, strength and anisotropy of intermolecular forces in atom-molecule systems: an atom-bond pairwise additivity approach. Chem. Phys. Lett., 350 (2001) 286-296.
    • (2001) Chem. Phys. Lett. , vol.350 , pp. 286-296
    • Pirani, F.1    Cappelletti, D.2    Liuti, G.3
  • 24
    • 84941164037 scopus 로고    scopus 로고
    • http://www.dl.ac.uk/TCSC/Software/DL_POLY.
  • 25
  • 26
    • 0000493638 scopus 로고
    • Dissociation-energy of neutral and ionic benzene-noble gas dimers by pulsed-field threshold ionization spectroscopy
    • Krause H., Neusser H. J.: Dissociation-energy of neutral and ionic benzene-noble gas dimers by pulsed-field threshold ionization spectroscopy. J. Chem. Phys., 99 (1993) 6278-6286.
    • (1993) J. Chem. Phys. , vol.99 , pp. 6278-6286
    • Krause, H.1    Neusser, H.J.2
  • 27
    • 3042579181 scopus 로고
    • 2 complex. Applications of the nonempirical ab-initio and empirical Lennard-Jones 6-12 potentials
    • 2 complex. Applications of the nonempirical ab-initio and empirical Lennard-Jones 6-12 potentials. Chem. Phys. Lett., 220 (1994) 85-92.
    • (1994) Chem. Phys. Lett. , vol.220 , pp. 85-92
    • Vacek, J.1    Konvicka, K.2    Hobza, P.3
  • 28
    • 36449007488 scopus 로고
    • Generalized correlations in terms of polarizability for vanderWaals interaction potential parameter calculations
    • Cambi R., Cappelletti D., Liuti G., Pirani F.: Generalized correlations in terms of polarizability for vanderWaals interaction potential parameter calculations. J. Chem. Phys., 95 (1991) 1852-1861.
    • (1991) J. Chem. Phys. , vol.95 , pp. 1852-1861
    • Cambi, R.1    Cappelletti, D.2    Liuti, G.3    Pirani, F.4
  • 29
    • 0038200008 scopus 로고
    • n (n = 3 - 5) complex using the ab-initio intermolecular potential
    • n (n = 3 - 5) complex using the ab-initio intermolecular potential. J. Phys. Chem. 98 (1994) 11034-11039.
    • (1994) J. Phys. Chem. , vol.98 , pp. 11034-11039
    • Vacek, J.1    Hobza, P.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.