Comparative analysis of a full-electron basis set and pseudopotential for the iodine atom in DFT quantum-chemical calculations of iodine-containing compounds

J. T. Su, and A. H. Zewai, J. Phys. Chem. A, 102, 4082 (1998).

S. Reiling, M. Besnard, and P. A. Bopp, ibid., 101, 4409 (1997).

N. Begovic, Z. Markovic, S. Anic, and L. Kolar-Anic, ibid., 108, 651–657 (2004).

O. Kh. Poleshchuk, E. L. Shevchenko, V. Branchadell, et al., Int. J. Quant. Chem., 101, No. 6, 869 (2005).

O. Kh. Poleshchuk, V. Branchadell, B. Brycki, et al., J. Mol. Struct. Theochem., 760, 173 (2006).

M. N. Glukhovtsev, A. Pross, M. P. McGrath, and L. Radom, J. Chem. Phys., 103, 1878 (1995).

N. Godbout, D. R. Salahub, J. Andzelm, and E. Wimmer., Can. J. Chem., 70, 560 (1992).

S. M. Godfrey and A. Hinchliffe, J. Mol. Struct. Theochem., 761, 1 (2006).

C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B, 37, No. 5, 785 (1988).

M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian 03, Revision 03; Gaussian, Pittsburg, PA (2003).

O. Kh. Poleshchuk, I. Latoszinska, and Ya. Koput, Koordinats. Khim., 24, No. 1, 72 (1998).

A. J. Gordon and R. A. Ford, The Chemist’s Companion, Wiley, New York (1972).

S. A. Zonis and G. A. Simonov (eds.), Chemist’s Hanbook [in Russian], Vol. 1, Goskhimizdat, Leningrad (1963).

R. Forster, Organic Charge-Transfer Complexes, Acad. Press, New York (1969).

H. B. Friedrich and W. B. Person, J. Chem. Phys., 44, 2161 (1966).

Spectral Datebase for Organic Compound, National Institute of Advanced Industrial Science and Technology (AIST), Jpn. http://www.aist.go.jp/RIODB/SDBS

NIST Chemistry WebBook http://webbook.nist.gov/chemistry

L. A. Eriksson, O. L. Malkina, V. G. Malkin, and D. R. Salahub, Int. J. Quant. Chem., 63, No. 2, 575 (1997).

G. K. Semin, T. A. Babushkina, and G. G. Yakobson, Chemical Applications of Nuclear Quadrupole Resonance [in Russian], Khimiya, Leningrad (1972).

O. Kh. Poleshchuk, E. L. Kalinina, Yu. A. Shanina, and G. Franking, Koordinats. Khim., 29, No. 1, 57 (2003).

O. K. Poleshchuk, E. L. Shevchenko, V. Brabchadell, et al., Hyperfine Interactions, 159, 293 (2004).

J. B. Davey and A. C. Legon, Phys. Chem. Chem. Phys., 3, 3006 (2001).

A. C. Legon, Chem. Soc. Rev., 19, 197 (1990).

A. C. Legon, Angew. Chem., Int. Ed., 38, 2687 (1999).

O. Kh. Poleshchuk and A. C. Legon, Z. Naturforsch., 57a, 537 (2002).