7 Supramolecular, Hierarchical, and Energetical Interpretation …
135
5. Tsuzuki, S.: Intermolecular Forces of Organic Molecules: Analysis of Intermolecular Interaction Energy by Ab Initio Molecular Orbital Calculations. University of Tokyo Press, Tokyo
(2015)
6. Kigure, S., Omachi, H., Shinohara, H., Okada, S.: Nano-Saturn: energetics of the inclusion
process of C 60 into cyclohexabiphenylene. J. Phys. Chem. C 119, 8931–8936 (2015)
7. Gaussian 16, Revision A.01, Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb,
M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Petersson, G.A., Nakatsuji, H., Li, X., Caricato, M., Marenich, A.V., Bloino, J., Janesko, B.G., Gomperts, R., Mennucci, B., Hratchian,
H.P., Ortiz, J.V., Izmaylov, A.F., Sonnenberg, J.L., Williams-Young, D., Ding, F., Lipparini,
F., Egidi, F., Goings, J., Peng, B., Petrone, A., Henderson, T., Ranasinghe, D., Zakrzewski,
V. G., Gao, J., Rega, N., Zheng, G., Liang, W., Hada, M., Ehara, M., Toyota, K., Fukuda, R.,
Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Throssell,
K., Montgomery Jr., J.A., Peralta, J.E., Ogliaro, F., Bearpark, M.J., Heyd, J.J., Brothers, E.N.,
Kudin, K.N., Staroverov, V.N., Keith, T.A., Kobayashi, R., Normand, J., Raghavachari, K.,
Rendell, A.P., Burant, J.C., Iyengar, S.S., Tomasi, J., Cossi, M., Millam, J.M., Klene, M.,
Adamo, C., Cammi, R., Ochterski, J.W., Martin, R.L., Morokuma, K., Farkas, O., Foresman,
J.B., Fox, D.J.: Gaussian, Inc., Wallingford CT (2016)
8. GaussView, Version 6.1, Dennington, R., Keith, T.A., Millam, J.M.: Semichem Inc., Shawnee
Mission, KS (2016)
9. Miyata, M., Sada, K.: In: Lehn, J.-M. (ed.) Comprehensive Supramolecular Chemistry. Solid
State Supramolecular Chemistry: Crystal Engineering, vol. 6, p. 147. Pergamon, Oxford (1996)
10. Miyata, M., Sada, K., Yoswathananont, N.: In: Atwood, J.L., Steed, J.W. (eds.) Encyclopedia
of Supramolecular Chemistry, vol. 1, p. 441. Marcel Dekker, New York (2004)
11. Cambridge Structural Database and Mercury: https://www.ccdc.cam.ac.uk/.
12. Miyata, M., Tohnai, N., Hisaki, I.: Crystalline host–guest assemblies of steroidal and related
molecules: diversity, hierarchy, and supramolecular chirality. Acc. Chem. Res. 40, 694 (2007)
13. Miyata, M., Tohnai, N., Hisaki, I.: Supramolecular chirality in crystalline assemblies of bile
acids and their derivatives; three-axial, tilt, helical, and bundle chirality. Molecules 12, 1973
(2007)
14. Hisaki, I., Sasaki, T., Tohnai, N., Miyata, M.: Supramolecular-tilt-chirality on twofold helical
assemblies. Chem. Eur. J. (Concept) 18, 10066 (2012)
15. Miyata, M., Tohnai, N., Hisaki, I., Sasaki, T.: Generation of supramolecular chirality around
twofold rotational or helical axes in crystalline assemblies of achiral components. Symmetry
(Open Access) 7, 1914 (2015)
16. Miyata, M., Hisaki, I.: In: Tamura, R., Miyata, M. (eds.) Advances in Organic Crystal Chemistry,
Chapter 19, p. 371. Springer, Tokyo, Japan (2015)
17. Hisaki, I., Sasaki, T., Tohnai, N., Miyata, M.: Multipoint approximation method for handedness
determination of two-fold helical assemblies and their bundles. J. Synth. Org. Chem. Jpn. 70,
908 (2012)
18. Sasaki, T., Ida, Y., Tanaka, A., Hisaki, I., Tohnai, N., Miyata, M.: Chiral crystallization by nonparallel face contacts on the basis of three-axially asymmetric twofold helices. CrystEngComm
15, 8237 (2013)
19. Grimme, S., Antony, J., Ehrlich, S., Krieg, H.: A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J. Chem.
Phys. 132, 154104 (2010)
20. Ransil, B.J.: Studies in molecular structure. IV. Potential curve for the interaction of two helium
atoms in single-configuration LCAO MO SCF approximation. J. Chem. Phys. 34, 2109 (1961)
21. 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. 19, 553 (1970)
22. Glusker, J.P., Trueblood, K.N.: Crystal Structure Analysis: A Primer, 3rd edn. Oxford University
Press, Oxford (2010)
23. Bennett, D.W.: Understanding Single-Crystal X-Ray Crystallography. Wiley-VCH, Weinheim
(2010)
135
5. Tsuzuki, S.: Intermolecular Forces of Organic Molecules: Analysis of Intermolecular Interaction Energy by Ab Initio Molecular Orbital Calculations. University of Tokyo Press, Tokyo
(2015)
6. Kigure, S., Omachi, H., Shinohara, H., Okada, S.: Nano-Saturn: energetics of the inclusion
process of C 60 into cyclohexabiphenylene. J. Phys. Chem. C 119, 8931–8936 (2015)
7. Gaussian 16, Revision A.01, Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb,
M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Petersson, G.A., Nakatsuji, H., Li, X., Caricato, M., Marenich, A.V., Bloino, J., Janesko, B.G., Gomperts, R., Mennucci, B., Hratchian,
H.P., Ortiz, J.V., Izmaylov, A.F., Sonnenberg, J.L., Williams-Young, D., Ding, F., Lipparini,
F., Egidi, F., Goings, J., Peng, B., Petrone, A., Henderson, T., Ranasinghe, D., Zakrzewski,
V. G., Gao, J., Rega, N., Zheng, G., Liang, W., Hada, M., Ehara, M., Toyota, K., Fukuda, R.,
Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Throssell,
K., Montgomery Jr., J.A., Peralta, J.E., Ogliaro, F., Bearpark, M.J., Heyd, J.J., Brothers, E.N.,
Kudin, K.N., Staroverov, V.N., Keith, T.A., Kobayashi, R., Normand, J., Raghavachari, K.,
Rendell, A.P., Burant, J.C., Iyengar, S.S., Tomasi, J., Cossi, M., Millam, J.M., Klene, M.,
Adamo, C., Cammi, R., Ochterski, J.W., Martin, R.L., Morokuma, K., Farkas, O., Foresman,
J.B., Fox, D.J.: Gaussian, Inc., Wallingford CT (2016)
8. GaussView, Version 6.1, Dennington, R., Keith, T.A., Millam, J.M.: Semichem Inc., Shawnee
Mission, KS (2016)
9. Miyata, M., Sada, K.: In: Lehn, J.-M. (ed.) Comprehensive Supramolecular Chemistry. Solid
State Supramolecular Chemistry: Crystal Engineering, vol. 6, p. 147. Pergamon, Oxford (1996)
10. Miyata, M., Sada, K., Yoswathananont, N.: In: Atwood, J.L., Steed, J.W. (eds.) Encyclopedia
of Supramolecular Chemistry, vol. 1, p. 441. Marcel Dekker, New York (2004)
11. Cambridge Structural Database and Mercury: https://www.ccdc.cam.ac.uk/.
12. Miyata, M., Tohnai, N., Hisaki, I.: Crystalline host–guest assemblies of steroidal and related
molecules: diversity, hierarchy, and supramolecular chirality. Acc. Chem. Res. 40, 694 (2007)
13. Miyata, M., Tohnai, N., Hisaki, I.: Supramolecular chirality in crystalline assemblies of bile
acids and their derivatives; three-axial, tilt, helical, and bundle chirality. Molecules 12, 1973
(2007)
14. Hisaki, I., Sasaki, T., Tohnai, N., Miyata, M.: Supramolecular-tilt-chirality on twofold helical
assemblies. Chem. Eur. J. (Concept) 18, 10066 (2012)
15. Miyata, M., Tohnai, N., Hisaki, I., Sasaki, T.: Generation of supramolecular chirality around
twofold rotational or helical axes in crystalline assemblies of achiral components. Symmetry
(Open Access) 7, 1914 (2015)
16. Miyata, M., Hisaki, I.: In: Tamura, R., Miyata, M. (eds.) Advances in Organic Crystal Chemistry,
Chapter 19, p. 371. Springer, Tokyo, Japan (2015)
17. Hisaki, I., Sasaki, T., Tohnai, N., Miyata, M.: Multipoint approximation method for handedness
determination of two-fold helical assemblies and their bundles. J. Synth. Org. Chem. Jpn. 70,
908 (2012)
18. Sasaki, T., Ida, Y., Tanaka, A., Hisaki, I., Tohnai, N., Miyata, M.: Chiral crystallization by nonparallel face contacts on the basis of three-axially asymmetric twofold helices. CrystEngComm
15, 8237 (2013)
19. Grimme, S., Antony, J., Ehrlich, S., Krieg, H.: A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J. Chem.
Phys. 132, 154104 (2010)
20. Ransil, B.J.: Studies in molecular structure. IV. Potential curve for the interaction of two helium
atoms in single-configuration LCAO MO SCF approximation. J. Chem. Phys. 34, 2109 (1961)
21. 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. 19, 553 (1970)
22. Glusker, J.P., Trueblood, K.N.: Crystal Structure Analysis: A Primer, 3rd edn. Oxford University
Press, Oxford (2010)
23. Bennett, D.W.: Understanding Single-Crystal X-Ray Crystallography. Wiley-VCH, Weinheim
(2010)