Hiromi Nakai
Hiromi Nakai
Professor, Dept. of Chemistry & Biochemistry, School of Advanced Science & Engineering, Waseda Univ.
waseda.jp üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
Density functional method including weak interactions: Dispersion coefficients based on the local response approximation
T Sato, H Nakai
The Journal of chemical physics 131 (22), 224104, 2009
2252009
An extension of ab initio molecular orbital theory to nuclear motion
M Tachikawa, K Mori, H Nakai, K Iguchi
Chemical physics letters 290 (4-6), 437-442, 1998
2211998
Theoretical analysis on de-solvation of lithium, sodium, and magnesium cations to organic electrolyte solvents
M Okoshi, Y Yamada, A Yamada, H Nakai
Journal of the Electrochemical Society 160 (11), A2160, 2013
1642013
Theoretical analysis of interactions between potassium ions and organic electrolyte solvents: a comparison with lithium, sodium, and magnesium ions
M Okoshi, Y Yamada, S Komaba, A Yamada, H Nakai
Journal of The Electrochemical Society 164 (2), A54, 2016
1572016
Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method
M Kobayashi, Y Imamura, H Nakai
The Journal of chemical physics 127 (7), 074103, 2007
1492007
Simultaneous determination of nuclear and electronic wave functions without Born–Oppenheimer approximation: Ab initio NO+ MO/HF theory
H Nakai
International journal of quantum chemistry 86 (6), 511-517, 2002
1482002
Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations
M Kobayashi, H Nakai
The Journal of chemical physics 129 (4), 044103, 2008
1442008
Unveiling a new aspect of simple arylboronic esters: long-lived room-temperature phosphorescence from heavy-atom-free molecules
Y Shoji, Y Ikabata, Q Wang, D Nemoto, A Sakamoto, N Tanaka, J Seino, ...
Journal of the American Chemical Society 139 (7), 2728-2733, 2017
1402017
Energy density analysis with Kohn–Sham orbitals
H Nakai
Chemical physics letters 363 (1-2), 73-79, 2002
1352002
Implementation of divide‐and‐conquer method including Hartree‐Fock exchange interaction
T Akama, M Kobayashi, H Nakai
Journal of computational chemistry 28 (12), 2003-2012, 2007
1272007
Divide-and-conquer-based linear-scaling approach for traditional and renormalized coupled cluster methods with single, double, and noniterative triple excitations
M Kobayashi, H Nakai
The Journal of chemical physics 131 (11), 114108, 2009
1252009
Molecular orbital study on the reaction process of dimethylamine borane as a reductant for electroless deposition
T Homma, A Tamaki, H Nakai, T Osaka
Journal of electroanalytical chemistry 559, 131-136, 2003
972003
Many-body effects in nonadiabatic molecular theory for simultaneous determination of nuclear and electronic wave functions: Ab initio NOMO/MBPT and CC methods
H Nakai, K Sodeyama
The Journal of chemical physics 118 (3), 1119-1127, 2003
972003
Dipped adcluster model study for molecular and dissociative chemisorptions of O2 on Ag surface
H Nakatsuji, H Nakai
The Journal of chemical physics 98 (3), 2423-2436, 1993
971993
Local response dispersion method. II. Generalized multicenter interactions
T Sato, H Nakai
The Journal of chemical physics 133 (19), 194101, 2010
942010
Nuclear orbital plus molecular orbital theory: Simultaneous determination of nuclear and electronic wave functions without Born–Oppenheimer approximation
H Nakai
International Journal of Quantum Chemistry 107 (14), 2849-2869, 2007
902007
Molecular orbital study on the reaction mechanisms of electroless deposition processes
T Homma, I Komatsu, A Tamaki, H Nakai, T Osaka
Electrochimica acta 47 (1-2), 47-53, 2001
882001
Second-order Møller-Plesset perturbation energy obtained from divide-and-conquer Hartree-Fock density matrix
M Kobayashi, T Akama, H Nakai
The Journal of chemical physics 125 (20), 204106, 2006
762006
Ab initio molecular orbital model of scanning tunneling microscopy
T Fujita, H Nakai, H Nakatsuji
The Journal of chemical physics 104 (6), 2410-2417, 1996
751996
Theoretical study on the ground and excited states of MnO4
H Nakai, Y Ohmori, H Nakatsuji
The Journal of chemical physics 95 (11), 8287-8291, 1991
741991
Sistem, işlemi şu anda gerçekleştiremiyor. Daha sonra yeniden deneyin.
Makaleler 1–20