An ab initio study on ketene, hydroxyacetylene, formylmethylene, oxirene, and their rearrangement paths K Tanaka, M Yoshimine
Journal of the American Chemical Society 102 (26), 7655-7662, 1980
119 1980 A theoretical study on the potential surfaces of the lower electronic states of HCO K Tanaka, ER Davidson
The Journal of Chemical Physics 70 (6), 2904-2913, 1979
109 1979 Comparison between spin restricted and unrestricted post-Hartree—Fock calculations of effective exchange integrals in Ising and Heisenberg models K Yamaguchi, M Okumura, W Mori, J Maki, K Takada, T Noro, K Tanaka
Chemical physics letters 210 (1-3), 201-210, 1993
80 1993 Potential surface for the methylenecyclopropane rearrangement D Feller, K Tanaka, ER Davidson, WT Borden
Journal of the American Chemical Society 104 (4), 967-972, 1982
77 1982 Parallelized integral-direct CIS (D) calculations with multilayer fragment molecular orbital scheme Y Mochizuki, K Tanaka, K Yamashita, T Ishikawa, T Nakano, S Amari, ...
Theoretical Chemistry Accounts 117, 541-553, 2007
73 2007 The second 3 Σ− u 2 M Yoshimine, K Tanaka, H Tatewaki, S Obara, F Sasaki, K Ohno
The Journal of Chemical Physics 64 (5), 2254-2255, 1976
73 1976 Fragment interaction analysis based on local MP2 T Ishikawa, Y Mochizuki, S Amari, T Nakano, H Tokiwa, S Tanaka, ...
Theoretical Chemistry Accounts 118, 937-945, 2007
70 2007 A cluster expansion theory with multireference functions using the unitary ansatz K Tanaka, H Terashima
Chemical physics letters 106 (6), 558-562, 1984
70 1984 Relativistic dsp-model core potentials for main group elements in the fourth, fifth and sixth row and their applications E Miyoshi, Y Sakai, K Tanaka, M Masamura
Journal of Molecular Structure: THEOCHEM 451 (1-2), 73-79, 1998
61 1998 Fragment molecular orbital calculations on large scale systems containing heavy metal atom T Ishikawa, Y Mochizuki, T Nakano, S Amari, H Mori, H Honda, T Fujita, ...
Chemical physics letters 427 (1-3), 159-165, 2006
58 2006 Configuration interaction study of X‐ray and fast electron scattering factors for light atomic systems K Tanaka, F Sasaki
International Journal of Quantum Chemistry 5 (2), 157-175, 1971
58 1971 Correlation holes and wavefunctions for the 1 S , 1 P° , and 3 P° states of Be, B+ , and C2+ H Tatewaki, K Tanaka
The Journal of Chemical Physics 60 (2), 601-606, 1974
56 1974 Interband Optical Transitions in Extremely Anisotropic Semiconductors. III. Numerical Studies of Magneto-Optical Absorption M Shinada, K Tanaka
Journal of the Physical Society of Japan 29 (5), 1258-1268, 1970
53 1970 A method of incorporating quadruple correction in the scheme of multi-reference singly and doubly excited configuration interaction—a CSF based coupled pair approximation K Tanaka, T Sakai, H Terashima
Theoretica chimica acta 76, 213-225, 1989
46 1989 Configuration interaction calculation of the O2 + ion and study of the photoelectron spectra of O2 N Honjou, K Tanaka, K Ohno, H Taketa
Molecular Physics 35 (6), 1569-1578, 1978
41 1978 On the Nodal Surfaces of Hydrogen Eigenfunctions in a Magnetic Field M Shinada, O Akimoto, H Hasegawa, K Tanaka
Journal of the Physical Society of Japan 28 (4), 975-980, 1970
41 1970 A b i n i t i o SCF CI calculations on the ground and π–π* excited states of the pyrrole molecule and its positive ionK Tanaka, T Nomura, T Noro, H Tatewaki, T Takada, H Kashiwagi, ...
The Journal of Chemical Physics 67 (12), 5738-5741, 1977
38 1977 Theoretical study on electronic excitation spectra of Mo and Re cluster complexes: H Honda, T Noro, K Tanaka, E Miyoshi
The Journal of Chemical Physics 114 (24), 10791-10797, 2001
35 2001 Dynamic polarizability calculation with fragment molecular orbital scheme Y Mochizuki, T Ishikawa, K Tanaka, H Tokiwa, T Nakano, S Tanaka
Chemical physics letters 418 (4-6), 418-422, 2006
34 2006 Fragment molecular orbital calculations on red fluorescent protein (DsRed) Y Mochizuki, T Nakano, S Amari, T Ishikawa, K Tanaka, M Sakurai, ...
Chemical physics letters 433 (4-6), 360-367, 2007
33 2007 