Concepedia

A theoretical study of zero-field splitting of organic biradicals

Mitsuo Shoji, Kenichi Koizumi, Tomohiro Hamamoto, Takeshi Taniguchi, Ryo Takeda, Yasutaka Kitagawa, Takashi Kawakami, Mitsutaka Okumura, Shusuke Yamanaka, Kizashi Yamaguchi

Polyhedron · 2005 · 38 citations · 37 references

DOI

Concepts

References

37

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.8K citations

, , +16

The influence of polarization functions on molecular orbital hydrogenation energies

P. C. Hariharan, John A. Pople · Theoretical Chemistry Accounts · 1973 · 15.7K citations

, , +14

Efficient recursive computation of molecular integrals over Cartesian Gaussian functions

S. Obara, A. Saika · The Journal of Chemical Physics · 1986 · 701 citations

, , +13

ESR of the Triplet States of Randomly Oriented Molecules

E. Wasserman, Lawrence C. Snyder, W. A. Yager · The Journal of Chemical Physics · 1964 · 577 citations

, , +11

Ferromagnetic behavior of [Fe(C5Me5)2]+.bul. [TCNE]-.bul.. Structural and magnetic characterization of decamethylferrocenium tetracyanoethenide, [Fe(C5Me5)2]+.bul. [TCNE]-.bul..cntdot.MeCN and decamethylferrocenium pentacyanopropenide, [Fe(C5Me5)2]+.bul. [C3(CN)5]-

Joel S. Miller, Joseph C. Calabrese, H. Rommelmann et al. · Journal of the American Chemical Society · 1987 · 573 citations

, , +17