화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Theoretical study on naphthobischalcogenadiazole conjugated polymer systems and C61 derivative as organic photovoltaic semiconductors
Fujita T, Matsui T, Sumita M, Imamura Y, Morihashi K
Chemical Physics Letters, 693, 188, 2018
2 Molecular Dynamics and Quantum Chemical Approach for the Estimation of an Intramolecular Hydrogen Bond Strength in Okadaic Acid
Matsui T, Yamamoto K, Fujita T, Morihashi K
Journal of Physical Chemistry B, 122(29), 7233, 2018
3 Theoretical Estimation of Effect of Conjugation Length and Side Chain in Charge Recombination Process in Poly(para-phenylenevinylene)
Aikawa K, Matsui T, Morihashi K
Chemistry Letters, 45(6), 628, 2016
4 Theoretical Study of Singlet Oxygen Molecule Generation via an Exciplex with Valence-Excited Thiophene
Sumita M, Morihashi K
Journal of Physical Chemistry A, 119(5), 876, 2015
5 Validity of describing reaction coordinate of intramolecular charge transfer of 1,3-dinitrobenzene anion radical using constrained density functional theory
Ogawa T, Sumita M, Shimodo Y, Morihashi K
Chemical Physics Letters, 511(4-6), 219, 2011
6 Effect of Heme Modification on Oxygen Affinity of Myoglobin and Equilibrium of the Acid-Alkaline Transition in Metmyoglobin
Shibata T, Nagao S, Fukaya M, Tai HL, Nagatomo S, Morihashi K, Matsuo T, Hirota S, Suzuki A, Imai K, Yamamoto Y
Journal of the American Chemical Society, 132(17), 6091, 2010
7 Applications of the Liu-Parr-Nagy identity to the spin density calculations
Morihashi K, Shimodo Y, Kikuchi O
Chemical Physics Letters, 397(4-6), 462, 2004
8 MC/MO study of the solvent effect on the excitation energies of the (CH3)(2)NO radical in hydrogen-bonding and non-hydrogen-bonding solvents
Yagi T, Morihashi K, Kikuchi O
Journal of Physical Chemistry A, 105(35), 8241, 2001
9 Calculation of contributions of one- and two-electron spin-orbit coupling terms to the parity-violating energy shifts for amino acids and helical alkanes
Kiyonaga H, Morihashi K, Kikuchi O
Journal of Chemical Physics, 108(5), 2041, 1998
10 Syntheses and Characterization of bis(Silacyclopropene) and Disilabenzvalene
Ando W, Shiba T, Hidaka T, Morihashi K, Kikuchi O
Journal of the American Chemical Society, 119(15), 3629, 1997