194
4 Toward More Sophisticated Problems
M. Koentopp, C. Chang, K. Burke, R. Car, J. Phys.: Condens. Matter, 20(083202), 1–21 (2008)
K. Koike, S. Naito, S. Sato, Y. Tamaki, O. Ishitani, J. Photochem. Photobiol. A; Chem. 207, 109–114
(2009)
Y. Kuramochi, M. Kamiya, H. Ishida, Inorg. Chem. 53, 3326–3332 (2014)
R. Kuriki, K. Sekizawa, O. Ishitani, K. Maeda, Angew. Chem. Int. Ed. 54, 2406–2409 (2015)
Y. G. Kuznetsov, S. Daijogo, J. Zhou, B. L. Semler, A. McPherson, J. Mol. Biol. 347, 41–52 (2005)
J.-M. Lehn, R. Ziessel, J. Organometal. Chem. 382, 157–173 (1990)
C.D. Lindstrom, M. Muntwiler, X.-Y. Zhu, J. Phys. Chem. B 109, 21492–21495 (2005)
N. Mataga, Theoret. Chim. Acta (Berl.) 10, 372–376 (1968)
N. Miyaura, K. Yamada, A. Suzuki, Tetrahedron Lett. 36, 3437–3440 (1979)
I. Moritani, Y. Fujiwara, Tetrahedron Lett. 12, 1119–1122 (1967)
M.K. Nazeeruddin, A. Kay, L. Rodicio, R. Humphry-Baker, E. Müller, P. Liska, N. Vlachopoulos,
M. Grätzel, J. Am. Chem. Soc. 115, 6382–6390 (1993)
H. Ohtani, Y. Hirao, A. Ito, K. Tanaka, O. Hatozaki, J. Therm. Anal. Calorim. 99, 139–144 (2010)
J.P. Perdew, A. Zunger, Phys. Rev. B 23, 5048–5079 (1981)
R.A. Periana, D.J. Taube, S. Gamble, S. Taube, T. Satoh, E. Fujii, Science 280, 560–564 (1998)
A.E. Reed, L.A. Curtiss, F. Weinhold, Chem. Rev. 88, 899–926 (1988)
J. R. Rumble ed., CRC Handbook of Chemistry and Physics, 99th Ed. 2018–2019 (CRC Press,
Boca Raton, Fl 2018)
D. Sakamaki, A. Ito, K. Furukawa, T. Kato, K. Tanaka, Chem. Commun., 4524–4526 (2009)
S. Sakaki, Y. Ohnishi, H. Sato, Chem. Record 10, 29–45 (2010)
J.M. Soler, E. Artacho, J.D. Gale, A. Garacía, J. Junquera, P. Ordejón, D. Sánchz-Portal, J. Phys.:
Condens. Matter 14, 2745–2779 (2002)
K. Stokbro, J. Taylor, M. Brandbyge, H. Guo, Lecture Notes Phys., 680, 117–151 (2005) (G.
Cuniberti, G. Fagas, and K. Richter, eds.) Springer, Berlin
M. Tachibana, K. Yoshizawa, A. Ogawa, H. Fujimoto, R. Hoffmann, J. Phys. Chem. B 106, 12727–
12736 (2002)
H. Takeda, K. Koike, H. Inoue, O. Ishitani, J. Am. Chem. Soc. 130, 2023–2031 (2008)
K. Tasaki, A. Goldberg, M. Winter, Electrochim. Acta 56, 10424–10435 (2011)
J. Taylor, H. Guo, J. Wang, Phys. Rev. B 63(245407), 1–13 (2001)
M.M. Thackeray, C. Wolverton, E.D. Isaacs, Energy Environ. Sci. 5, 7854–7863 (2012)
M. Winter, Z. Phys. Chem. 223, 1395–1406 (2009)
L.D. Xing, J. Vatamanu, O. Borodin, G.D. Smith, D. Bedrov, J. Phys. Chem. C 116, 23871–23881
(2012)
L. Xing, X. Zheng, M. Schroeder, J. Alvarado, A. von Wald Cresce, K. Xu, Q. Li, W. Li, Acc.
Chem. Res., 51, 282–289 (2018)
K. Xu, A. von Cresce, J. Mater. Chem., 21, 9849–9864 (2011)
J. Yamada, T. Sugimoto (eds.), TTF Chemistry: Fundamentals and Applications of Tetrathiafulvalene (Kodansha Ltd, Tokyo and Springer, Berlin, 2004)
S. Yanase, T. Oi, J. Nucl. Sci. Technol. 39, 1060–1064 (2002)
A. Yonezawa, T. Watanabe, M. Yokokawa, M. Sato, K. Hirao, in Proceedings of International
Conference for High Performance Computing, Networking, Storage, and Analysis (Assoc. for
Computing Machinery, Washington DC, USA, 2011), pp. 1–8
J. Zheng, D. Wang, W. Thiel, S. Shaik, J. Am. Chem. Soc. 128, 13204–13215 (2006)
4 Toward More Sophisticated Problems
M. Koentopp, C. Chang, K. Burke, R. Car, J. Phys.: Condens. Matter, 20(083202), 1–21 (2008)
K. Koike, S. Naito, S. Sato, Y. Tamaki, O. Ishitani, J. Photochem. Photobiol. A; Chem. 207, 109–114
(2009)
Y. Kuramochi, M. Kamiya, H. Ishida, Inorg. Chem. 53, 3326–3332 (2014)
R. Kuriki, K. Sekizawa, O. Ishitani, K. Maeda, Angew. Chem. Int. Ed. 54, 2406–2409 (2015)
Y. G. Kuznetsov, S. Daijogo, J. Zhou, B. L. Semler, A. McPherson, J. Mol. Biol. 347, 41–52 (2005)
J.-M. Lehn, R. Ziessel, J. Organometal. Chem. 382, 157–173 (1990)
C.D. Lindstrom, M. Muntwiler, X.-Y. Zhu, J. Phys. Chem. B 109, 21492–21495 (2005)
N. Mataga, Theoret. Chim. Acta (Berl.) 10, 372–376 (1968)
N. Miyaura, K. Yamada, A. Suzuki, Tetrahedron Lett. 36, 3437–3440 (1979)
I. Moritani, Y. Fujiwara, Tetrahedron Lett. 12, 1119–1122 (1967)
M.K. Nazeeruddin, A. Kay, L. Rodicio, R. Humphry-Baker, E. Müller, P. Liska, N. Vlachopoulos,
M. Grätzel, J. Am. Chem. Soc. 115, 6382–6390 (1993)
H. Ohtani, Y. Hirao, A. Ito, K. Tanaka, O. Hatozaki, J. Therm. Anal. Calorim. 99, 139–144 (2010)
J.P. Perdew, A. Zunger, Phys. Rev. B 23, 5048–5079 (1981)
R.A. Periana, D.J. Taube, S. Gamble, S. Taube, T. Satoh, E. Fujii, Science 280, 560–564 (1998)
A.E. Reed, L.A. Curtiss, F. Weinhold, Chem. Rev. 88, 899–926 (1988)
J. R. Rumble ed., CRC Handbook of Chemistry and Physics, 99th Ed. 2018–2019 (CRC Press,
Boca Raton, Fl 2018)
D. Sakamaki, A. Ito, K. Furukawa, T. Kato, K. Tanaka, Chem. Commun., 4524–4526 (2009)
S. Sakaki, Y. Ohnishi, H. Sato, Chem. Record 10, 29–45 (2010)
J.M. Soler, E. Artacho, J.D. Gale, A. Garacía, J. Junquera, P. Ordejón, D. Sánchz-Portal, J. Phys.:
Condens. Matter 14, 2745–2779 (2002)
K. Stokbro, J. Taylor, M. Brandbyge, H. Guo, Lecture Notes Phys., 680, 117–151 (2005) (G.
Cuniberti, G. Fagas, and K. Richter, eds.) Springer, Berlin
M. Tachibana, K. Yoshizawa, A. Ogawa, H. Fujimoto, R. Hoffmann, J. Phys. Chem. B 106, 12727–
12736 (2002)
H. Takeda, K. Koike, H. Inoue, O. Ishitani, J. Am. Chem. Soc. 130, 2023–2031 (2008)
K. Tasaki, A. Goldberg, M. Winter, Electrochim. Acta 56, 10424–10435 (2011)
J. Taylor, H. Guo, J. Wang, Phys. Rev. B 63(245407), 1–13 (2001)
M.M. Thackeray, C. Wolverton, E.D. Isaacs, Energy Environ. Sci. 5, 7854–7863 (2012)
M. Winter, Z. Phys. Chem. 223, 1395–1406 (2009)
L.D. Xing, J. Vatamanu, O. Borodin, G.D. Smith, D. Bedrov, J. Phys. Chem. C 116, 23871–23881
(2012)
L. Xing, X. Zheng, M. Schroeder, J. Alvarado, A. von Wald Cresce, K. Xu, Q. Li, W. Li, Acc.
Chem. Res., 51, 282–289 (2018)
K. Xu, A. von Cresce, J. Mater. Chem., 21, 9849–9864 (2011)
J. Yamada, T. Sugimoto (eds.), TTF Chemistry: Fundamentals and Applications of Tetrathiafulvalene (Kodansha Ltd, Tokyo and Springer, Berlin, 2004)
S. Yanase, T. Oi, J. Nucl. Sci. Technol. 39, 1060–1064 (2002)
A. Yonezawa, T. Watanabe, M. Yokokawa, M. Sato, K. Hirao, in Proceedings of International
Conference for High Performance Computing, Networking, Storage, and Analysis (Assoc. for
Computing Machinery, Washington DC, USA, 2011), pp. 1–8
J. Zheng, D. Wang, W. Thiel, S. Shaik, J. Am. Chem. Soc. 128, 13204–13215 (2006)
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