| 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 3Σ−u state of O2 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 1S, 1P°, and 3P° 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 |
| Ab initio SCF CI calculations on the ground and π–π* excited states of the pyrrole molecule and its positive ion K 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: and 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 |
