1 | Koch W. ; Holthausen M. C. A Chemist's Guide to Density Functional Theory; Wiley-VCH Verlag GmbH: Weinheim, Germany 2001, pp.24- 28. |
2 | Parr R. G. ; Yang W. J. Am. Chem. Soc. 1984, 106, 4049. |
3 | Fu R. ; Lu T. ; Chen F. W. Acta Phys. -Chim. Sin. 2014, 30, 628. |
3 | 付蓉; 卢天; 陈飞武. 物理化学学报, 2014, 30, 628. |
4 | Cao J. S. ; Ren Q. ; Chen F. W. ; Lu T. Sci. China Chem. 2015, 45, 1281. |
4 | 曹静思; 任庆; 陈飞武; 卢天. 中国科学:化学, 2015, 45, 1281. |
5 | Lu T. ; Chen F. W. Acta Phys. -Chim. Sin. 2012, 28, 1. |
5 | 卢天; 陈飞武. 物理化学学报, 2012, 28, 1. |
6 | Bader F. W. Atoms in Molecules: A Quantum Theory New York, USA: Oxford University Press, 1994. |
7 | Matta C. F. ; Boyd R. J. The Quantum Theory of Atoms in Molecules-from Solid State to DNA and Drug Design; WILEY-VCH Verlag GmbH & Co. KGaA: Weinheim, Germany 2007. |
8 | Lu T. ; Chen F. J. Phys. Chem. A 2013, 117, 3100. |
9 | Gillespie R. J. ; Popelier P. L. A. Chemical Bonding and Molecular Geometry-From Lewis to Electron Densities New York, NY, USA: Oxford University Press, 2001, pp. 163- 180. |
10 | Becke A. D. ; Edgecombe K. E. J. Chem. Phys. 1990, 92, 5397. |
11 | Lu T. ; Chen F. W. Acta Phys. -Chim. Sin. 2011, 27, 2786. |
11 | 卢天; 陈飞武. 物理化学学报, 2011, 27, 2786. |
12 | Poater J. ; Duran M. ; Solà M. ; Silvi B. Chem. Rev. 2005, 105, 3911. |
13 | Manzetti S. ; Lu T. RSC Adv. 2013, 3, 25881. |
14 | Manzetti S. ; Lu T. ; Behzadi H. ; Estrafili M. D. ; Thi H. L. T. ; Vach H. RSC Adv. 2015, 5, 78192. |
15 | Emamian S. ; Lu T. ; Moeinpour F. RSC Adv. 2015, 5, 62248. |
16 | Schmider H. L. ; Becke A. D. J. Mol. Struct. THEOCHEM 2000, 527, 51. |
17 | Astakhov A. A. ; Tsirelson V. G. Chem. Phys. 2014, 435, 49. |
18 | De Silva P. ; Corminboeuf C. J. Chem. Theory Comput. 2014, 10, 3745. |
19 | Jacobsen H. Chem. Phys. Lett. 2013, 582, 144. |
20 | Hirshfeld F. L. Theor. Chim. Acta 1977, 44, 129. |
21 | Lu T. ; Chen F. J. Theor. Comp. Chem. 2012, 11, 163. |
22 | Dunitz J. D. ; Schweizer W. B. ; Seiler P. Helv. Chim. Acta 1983, 66, 123. |
23 | Eisenstein M. Acta Crystallogr. Sect. B 1979, 35, 2614. |
24 | Cai Y. ; Luo S. ; Wang Z. ; Xiong J. ; Gu H. J. Materiomics 2017, 3, 130. |
25 | Cameron T. S. ; Borecka B. ; Kwiatkowski W. J. Am. Chem. Soc. 1994, 116, 1211. |
26 | 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. ; et al Gaussian 16; Gaussian Inc.: Wallingford, CT 2016. |
27 | Stephens P. J. ; Devlin F. J. ; Chabalowski C. F. ; Frisch M. J. J. Phys. Chem. 1994, 98, 11623. |
28 | Weigend F. ; Ahlrichs R. Phys. Chem. Chem. Phys. 2005, 7, 3297. |
29 | Lu T. ; Chen F. J. Comput. Chem. 2012, 33, 580. |
30 | Website of Multiwfn program. http://sobereva.com/multiwfn (accessed Aug 15, 2017). |
31 | Multiwfn Manual, version 3.4, Section 3.7.4, available at http://sobereva.com/multiwfn (accessed Aug 15, 2017). |
32 | Zhao Y. ; Truhlar D. Theor. Chem. Acc. 2008, 120, 215. |
33 | Wüest A. ; Merkt F. J. Chem. Phys. 2003, 118, 8807. |
34 | Santos J. C. ; Andres J. ; Aizman A. ; Fuentealba P. J. Chem. Theory Comput. 2005, 1, 83. |
35 | Politzer P. ; Lane P. ; Concha M. C. ; Ma Y. ; Murray J. S. J. Mol. Model. 2007, 13, 305. |
36 | Clark T. WIREs: Comp. Mol. Sci. 2013, 3, 13. |
37 | Kozuch S. ; Martin J. M. L. J. Chem. Theory Comput. 2013, 9, 1918. |
38 | Jensen F. Introduction to Computational Chemistry; John Wiley & Sons: West Sussex, UK 2007, pp.487- 492. |
39 | Silvi B. ; Savin A. Nature 1994, 371, 683. |
40 | Fuentealba P. ; Chamorro E. ; Santos J. C. Understanding and Using the Electron Localization Function. In Theoretical Aspects of Chemical Reactivity; Toro-Labbé, A., Ed., Elsevier B.V.: Amsterdam, The Netherlands 2007, p. 57. |
41 | Bratsch S. G. J. Chem. Educ. 1985, 62, 101. |
42 | Cotton F. A. ; Murillo C. A. ; Walton R. A. Multiple Bonds between Metal Atoms; Springer Science and Business Media, Inc.: New York, USA 2005. |