TopMoD package. Paris: Université Pierre et Marie Curie, 1997
[4]
Noury S, Krokidis X, Fuster F, et al. Computational tools for the electron localization function topological analysis. Comp Chem, 1999, 23: 597-604
[5]
Peebles S A, Kuczkowski R L. Rotational spectrum, structure and modeling of an isomer of the HCCH-OCS dimer. Chem Phys Lett, 1999, 312: 357-361
[6]
Grabowski S J. Hydrogen bonds with π and σ Electrons as the multicenter proton acceptors: High level ab initio calculations. J Phys Chem A , 2007, 111: 3387-3393
[7]
Zeng Y L, Zhang X Y, Li X Y, et al. The role of molecular electrostatic potentials in the formation of halogen bond in furan???XY and thiophene???XY (X=Cl, Br; Y=F, Cl and Br) complexes. ChemPhysChem, 2011, 12: 1080-1087
[8]
袁焜, 朱元成, 刘艳芝, 等. HnY (n = 2, 3; Y = O, S, N) 与LiNH2 分子间的锂键结构及N-Li 键反常蓝移[J].科学通报.2008, 53:1885-1891？？浏览
Rozas I, Alkorta I, Elguero J. Behavior of ylides containing N, O, and C atoms as hydrogen bond acceptors. J Am Chem Soc, 2000, 122: 11154-11161
[12]
Mülliken R S.[J].Person W B. Molecular Complexes. New York: John Wiley & Sons.1969,:-
[13]
Zhao G J, Han K L. Effects of hydrogen bonding on tuning photochemistry: Concerted hydrogen-bond strengthening and weakening. ChemPhysChem, 2008, 9: 1842-1846
[14]
Zhao G J, Han K L. Site-specific solvation of the photoexcited protochlorophyllide a in methanol: Formation of the hydrogen-bonded intermediate state induced by hydrogen-bond strengthening. Biophys J, 2008, 94: 38-46
[15]
Zhao G J, Han K L. Early time hydrogen-bonding dynamics of photoexcited coumarin 102 in hydrogen-donating solvents: Theoretical study. J Phys Chem A, 2007, 111: 2469-2474
[16]
Zhao G J, Liu J Y, Zhou L C, et al. Site-selective photoinduced electron transfer from alcoholic solvents to the chromophore facilitated by hydrogenbonding: A new fluorescence quenching mechanism. J Phys Chem B, 2007, 111: 8940-8945
Beck S M, Liverman M G, Monts D L, et al. Rotational analysis of the 1B2u(ππ) ←1A1g, (601) band of benzene and helium-benzene van der Waals complexes in a supersonic jet[J].J Chem Phys.1979, 70:232-237
[19]
Brupbacher T, Makarewicz J, Bauder A. Intermolecular dynamics of benzene-rare gas complexes as derived from microwave spectra. J Chem Phys, 1994, 101: 9736-9746
[20]
Neuhauser R, Braun J, Neusser H J, et al. Vibrational overtones in the electronic ground state of the benzene-Ar complex: A combined experimental and theoretical analysis. J Chem Phys, 1998, 108: 8408-8417
[21]
Klots T D, Emilsson T, Gutowsky H S. Rotational spectra, structure, Kr-83 nuclear quadrupole coupling constant, and the dipole moment of the Kr-benzene dimmer[J].J Chem Phys.1992, 97:5335-5340
[22]
Cooke S A, Corlett G K, Evans C M, et al. The rotational spectrum of the benzene-hydrogen bromide complex. Chem Phys Lett, 1997, 272: 61-68
[23]
Ohshima Y, Kohguchi H, Endo Y. Pulsed-nozzle Fourier-transform microwave spectroscopy of the benzene-15N2 complex. Chem Phys Lett, 1991, 184: 21-24
[24]
Brupbacher T, Bauder A. Pure rotational spectrum and structure of the benzene-CO van der Waals complex. J Chem Phys, 1993, 99: 9394-9399
[25]
Gutowsky H S, Arunan E, Emilsson T, et al. Rotational spectra and structures of the C6H6-HCN dimer and Ar3-HCN tetramer. J Chem Phys, 1995, 103: 3917-3927
[26]
Emilsson T, Gutowsky H S, de Oliveira G, et al. Rotational patches: Stark effect, dipole moment, and dynamics of water loosely bound to benzene. J Chem Phys, 2000, 112: 1287-1294
[27]
Rodham D A, Suzuki S, Suenram R D, et al. Hydrogen bonding in the benzene-ammonia dimer. Nature, 1993, 362: 735-737
[28]
Taleb-Bendiab A, Hillig K W, Kuczkowski R L. Microwave spectrum of benzene SO2: Barrier to internal rotation, structure, and dipole moment. J Chem Phys, 1992, 97: 2996-3006
[29]
Shelley M Y, Dai H L, Troxler T. Electronic relaxation and vibrational predissociation of benzene-acetylene van der Waals complexes. J Chem Phys, 1999, 110: 9081-9090
[30]
Dehghany M, Norooz Oliaee J, Afshari M, et al. Infrared spectra of OCS-C6H6, OCS-C6H6-He, and OCS-C6H6-Ne van der Waals complexes[J].J Chem Phys.2010, 132:194303-194308
[31]
Norooz O J, Dehghany M, Afshari M, et al. Ubiquitous T-shaped isomers of OCS-hydrocarbon van der Waals complexes. J Chem Phys, 2009, 131: 161105-161108
[32]
Norooz Oliaee J, Afshari M, Dehghany M, et al. Infrared spectra of two isomers of OCS-C2H2 and OCS-C2D2 in the region of OCS ν1 fundamental. J Mol Spectrosc, 2009, 257: 133-136
[33]
Boys S F, Bernardi F. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors. Mol Phys, 1970, 19: 553-566
[34]
Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 03, Revision D.01. Pittsburgh: Gaussian, Inc, 2004
[35]
Jab?oński M, Palusiak M. Basis set and method dependence in atoms in molecules calculations. J Phys Chem A, 2010, 114: 2240-2244
[36]
Bader R F W. Atoms in Molecules: A Quantum Theory. Oxford: Oxford University Press, 1990
[37]
AIM2000. Version1.0. Bielefeld: University of Applied Science, 2000
