| Effective exchange integrals for open-shell species by density functional methods S Yamanaka, T Kawakami, H Nagao, K Yamaguchi Chemical physics letters 231 (1), 25-33, 1994 | 330 | 1994 |
| A general algorithm for calculation of Heisenberg exchange integrals J in multispin systems M Shoji, K Koizumi, Y Kitagawa, T Kawakami, S Yamanaka, M Okumura, ... Chemical physics letters 432 (1-3), 343-347, 2006 | 324 | 2006 |
| Reactivation of human herpesvirus (HHV) family members other than HHV‐6 in drug‐induced hypersensitivity syndrome M Seishima, S Yamanaka, T Fujisawa, M Tohyama, K Hashimoto British Journal of Dermatology 155 (2), 344-349, 2006 | 223 | 2006 |
| EHF theory of chemical reactions part 4. UNO CASSCF, UNO CASPT2 and R (U) HF coupled-cluster (CC) wavefunctions S Yamanaka, M Okumura, M Nakano, K Yamaguchi Journal of Molecular Structure 310, 205-218, 1994 | 215 | 1994 |
| Theoretical illumination of water-inserted structures of the CaMn 4 O 5 cluster in the S 2 and S 3 states of oxygen-evolving complex of photosystem II: full geometry … H Isobe, M Shoji, S Yamanaka, Y Umena, K Kawakami, N Kamiya, ... Dalton transactions 41 (44), 13727-13740, 2012 | 198 | 2012 |
| Theoretical approaches to direct exchange couplings between divalent chromium ions in naked dimers, tetramers, and clusters M Nishino, S Yamanaka, Y Yoshioka, K Yamaguchi The Journal of Physical Chemistry A 101 (4), 705-712, 1997 | 143 | 1997 |
| Comparison of human mesenchymal stem cells derived from bone marrow, synovial fluid, adult dental pulp, and exfoliated deciduous tooth pulp Y Isobe, N Koyama, K Nakao, K Osawa, M Ikeno, S Yamanaka, Y Okubo, ... International journal of oral and maxillofacial surgery 45 (1), 124-131, 2016 | 140 | 2016 |
| Approximately spin-projected geometry optimization method and its application to di-chromium systems Y Kitagawa, T Saito, M Ito, M Shoji, K Koizumi, S Yamanaka, T Kawakami, ... Chemical physics letters 442 (4-6), 445-450, 2007 | 139 | 2007 |
| Possible mechanisms for the O–O bond formation in oxygen evolution reaction at the CaMn4O5 (H2O) 4 cluster of PSII refined to 1.9 Å X-ray resolution S Yamanaka, H Isobe, K Kanda, T Saito, Y Umena, K Kawakami, JR Shen, ... Chemical Physics Letters 511 (1-3), 138-145, 2011 | 110 | 2011 |
| Thermoelectric properties of heavily boron-and phosphorus-doped silicon Y Ohishi, J Xie, Y Miyazaki, Y Aikebaier, H Muta, K Kurosaki, S Yamanaka, ... Japanese journal of applied physics 54 (7), 071301, 2015 | 85 | 2015 |
| Symmetry and broken symmetries in molecular orbital descriptions of unstable molecules II. Alignment, flustration and tunneling of spins in mesoscopic molecular magnets K Yamaguchi, S Yamanaka, M Nishino, Y Takano, Y Kitagawa, H Nagao, ... Theoretical Chemistry Accounts 102, 328-345, 1999 | 79 | 1999 |
| Substitution effect on thermoelectric properties of ZrNiSn based half-Heusler compounds H Muta, T Kanemitsu, K Kurosaki, S Yamanaka Materials transactions 47 (6), 1453-1457, 2006 | 74 | 2006 |
| Possible mechanisms of water splitting reaction based on proton and electron release pathways revealed for CaMn4O5 cluster of PSII refined to 1.9 Å X‐ray … T Saito, S Yamanaka, K Kanda, H Isobe, Y Takano, Y Shigeta, Y Umena, ... International journal of quantum chemistry 112 (1), 253-276, 2012 | 73 | 2012 |
| Density functional theory without the Born–Oppenheimer approximation and its application Y Shigeta, H Takahashi, S Yamanaka, M Mitani, H Nagao, K Yamaguchi International journal of quantum chemistry 70 (4‐5), 659-669, 1998 | 72 | 1998 |
| Labile electronic and spin states of the CaMn4O5 cluster in the PSII system refined to the 1.9 Å X-ray resolution. UB3LYP computational results K Kanda, S Yamanaka, T Saito, Y Umena, K Kawakami, JR Shen, ... Chemical Physics Letters 506 (1-3), 98-103, 2011 | 71 | 2011 |
| Extended Hartree—Fock (EHF) theory of chemical reactions VI: hybrid DFT and post-Hartree—Fock approaches for concerted and non-concerted transition structures of the Diels … H Isobe, Y Takano, Y Kitagawa, T Kawakami, S Yamanaka, K Yamaguchi, ... Molecular Physics 100 (6), 717-727, 2002 | 70 | 2002 |
| CAS-DFT based on odd-electron density and radical density R Takeda, S Yamanaka, K Yamaguchi Chemical physics letters 366 (3-4), 321-328, 2002 | 69 | 2002 |
| Effect of oxygen on hydrogen solubility in zirconium S Yamanaka, T Tanaka, M Miyake Journal of nuclear materials 167, 231-237, 1989 | 67 | 1989 |
| Full geometry optimizations of the mixed‐valence CaMn4O4X(H2O)4 (X=OH or O) cluster in OEC of PS II: Degree of symmetry breaking of the labile Mn‐X‐Mn … K Yamaguchi, H Isobe, S Yamanaka, T Saito, K Kanda, M Shoji, Y Umena, ... International Journal of Quantum Chemistry 113 (4), 525-541, 2013 | 65 | 2013 |
| Regulation Mechanism of Spin− Orbit Coupling in Charge-Transfer-Induced Luminescence of Imidazopyrazinone Derivatives H Isobe, S Yamanaka, S Kuramitsu, K Yamaguchi Journal of the American Chemical Society 130 (1), 132-149, 2008 | 64 | 2008 |
