| 1 |
Conformational control of cofactors in nature: The effect of methoxy group orientation on the electronic structure of ubisemiquinone
De Almeida WB, O'Malley PJ
Chemical Physics Letters, 695, 158, 2018 |
| 2 |
First principle study on water protons interacted with gadolinium oxide and gold nanocluster
Xia XL, Li CR, Hu WY, Shao YZ
Chemical Physics Letters, 667, 91, 2017 |
| 3 |
Mono-Hydrogenation of Fullerene Materials: A Density Functional Theory Study on the Properties of Fullerene Mono-Hydrides C60H and C70H
Tokunaga K, Ohmori S, Kawabata H
Molecular Crystals and Liquid Crystals, 539, 252, 2011 |
| 4 |
Magnetic local structures of Prussian-blue analogs: Hyperfine coupling of the cyanide ions and the coordination water molecules as studied by solid-state C-13 and D NMR
Takeda S, Umehara Y, Hara H, Maruta G
Molecular Crystals and Liquid Crystals, 379, 253, 2002 |
| 5 |
Spin polarization in infinite zigzag chains of [Rh-2(HNCOCH3)(4)Cl](n)
Yamauchi M, Koudriavtsev AB, Ikeda R, Yang Z, Kawamura T
Molecular Crystals and Liquid Crystals, 379, 321, 2002 |
| 6 |
Hyperfine coupling and magnetic interaction of layer-structured compound Ni(OD)(2) studied by solid-state high-resolution deuterium NMR
Takeda S, Zennyoji Y, Maruta G
Molecular Crystals and Liquid Crystals, 376, 437, 2002 |
| 7 |
Magnetic interactions through short hydrogen bond in hydrogen-bonded basic copper(II) salt; Cu2Na(D3O2)(SO4)(2)
Takeda S, Watanabe A, Maruta G, Matsuo T
Molecular Crystals and Liquid Crystals, 376, 443, 2002 |
| 8 |
Analogues for the molybdenum center of sulfite oxidase: Oxomolybdenum(V) complexes with three thiolate sulfur donor atoms
Mader ML, Carducci MD, Enemark JH
Inorganic Chemistry, 39(3), 525, 2000 |
| 9 |
Thermal stability of O-H and O-alkyl bonds in N-alkoxyamines. A density functional theory approach
Marsal P, Roche M, Tordo P, Claire PD
Journal of Physical Chemistry A, 103(15), 2899, 1999 |
| 10 |
Tuning of structural and magnetic properties of nitronyl nitroxides by the environment. A combined experimental and computational study
Adamo C, di Matteo A, Rey P, Barone V
Journal of Physical Chemistry A, 103(18), 3481, 1999 |
