Analysis of electron diffraction data for several symmetric coordinates of large-amplitude motions in the case of the 1,3,5-trinitrobenzene molecule

N. I. Sadova, N. P. Penionzhkevich, A. A. Golubinskii, and L. V. Vilkov, Zh. Strukt. Khim. 17, 754 (1976).

N. P. Penionzhkevich, N. I. Sadova, M. V. Popik, L. V. Vilkov, and Yu. A. Pankrushev, Zh. Strukt. Khim. 20, 603 (1979).

C. S. Choi and J. E. Abel, Acta Crystallogr. B 28, 193 (1972). 10.1107/s0567740872002067

M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, T. Vreven, Jr., K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian 03, Rev. E.0 (Gaussian Inc., Wallingford CT, 2004).

I. V. Kochikov, Yu. I. Tarasov, G. M. Kuramshina, et al., J. Mol. Struct. 445, 243 (1998). 10.1016/s0022-2860(97)00428-6

I. V. Kochikov, Yu. I. Tarasov, V. P. Spiridonov, et al., J. Mol. Struct. 485–486, 421 (1999). 10.1016/s0022-2860(99)00185-4

I. V. Kochikov, Yu. I. Tarasov, N. Vogt, and V. P. Spiridonov, J. Mol. Struct. 607, 163 (2002). 10.1016/s0022-2860(01)00914-0

M. Dakkouri, I. V. Kochikov, Yu. I. Tarasov, et al., J. Mol. Struct. 607, 195 (2002). 10.1016/s0022-2860(01)00915-2

I. V. Kochikov and Yu. I. Tarasov, Struct. Chem. 14, 227 (2003). 10.1023/a:1022102918764

V. P. Spiridonov, Advances in Molecular Structure Research (JAI Press, Greenwich CT, 1997), Vol. 3, p. 53. 10.1016/s1087-3295(97)80004-7

A. A. Ishchenko, G. V. Girichev, and Yu. I. Tarasov, Electron Diffraction: Structure and Dynamics of Free Molecules and the Condensed Matter (Fizmatlit, Moscow, 2012) [in Russian].

L. S. Khaikin, O. E. Grikina, and E. P. Altova, in Proceedings of the 14th European Symposiumon Gas Phase Electron Diffraction, Moscow, Russia, June 24–28, 2011 (Moscow, 2011), p. 56.

H. F. Shurvell, A. R. Norris, and D. E. Irish, Can. J. Chem. 45, 117 (1967). 10.1139/v67-026

H. F. Shurvell, J. A. Faniran, E. A. Symons, and E. Buncel, Can. J. Chem. 47, 2515 (1969). 10.1139/v69-417

J. P. Huvenne, G. Vergoten, G. Fleury, M. Blain, and S. Odiot, J. Mol. Struct. 118, 177 (1984). 10.1016/0022-2860(84)87215-4

Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

Péter Pulay, Geza Fogarasi, Frank Pang et al.

P. Pulay, G. Fogarasi, G. Pongor, et al., J. Am. Chem. Soc. 105, 7037 (1983). 10.1021/ja00362a005

G. Fogarasi and P. Pulay, in Vibrational Spectra and Structure, Ed. by J. R. Durig (Elsevier, Amsterdam, 1985), Vol. 14, p. 125.

T. S. Perova, in Relaxation Phenomena in Condenced Matter, Ed. by W. Coffey, Advances in Chemical Physics, Vol. 87 (Wiley, New York, 1994), p. 427. 10.1002/9780470141465.ch5

P. R. Bunker and P. Jensen, Molecular Symmetry and Spectroscopy (NRC Research Press, Ottawa, 1998; Mir, Nauchnyi Mir, Moscow, 2004).

A. V. Kudich, V. A. Bataev, A. V. Abramenkov, V. I. Pupyshev, and I. A. Godunov, J. Mol. Struct. 631, 39 (2003). 10.1016/s0166-1280(03)00130-1

L. D. Landau and E. M. Lifshits, Course of Theoretical Physics, Vol. 3: Quantum Mechanics: Nonrelativistic Theory (Pergamon, New York, 1977; Nauka, Moscow, 1989).

V. A. Sipachev, J. Mol. Struct. 693, 235 (2004). 10.1016/j.molstruc.2004.02.038