화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 Structure and magnetic properties of benzyl, anilino, and phenoxyl radicals by density functional computations
Adamo C, Subra R, Di Matteo A, Barone V
Journal of Chemical Physics, 109(23), 10244, 1998
2 Structures and spectroscopic characteristics of 5,6-dihydro-6-thymyl and 5,6-dihydro-5-thymyl radicals by an integrated quantum mechanical approach including electronic, vibrational, and solvent effects
Jolibois F, Cadet J, Grand A, Subra R, Rega N, Barone V
Journal of the American Chemical Society, 120(8), 1864, 1998
3 Structure and Hyperfine Parameters of Cyclopropyl and Bicyclobutyl Radicals from Post-Hartree-Fock Computations
Barone V, Subra R
Journal of Chemical Physics, 104(7), 2630, 1996
4 Structures, Hyperfine Parameters, and Inversion Barriers of Cyclopropyl and Oxiranyl Radicals
Barone V, Adamo C, Brunel Y, Subra R
Journal of Chemical Physics, 105(8), 3168, 1996
5 Ab-Initio Study of Ullmans Nitroxide Biradicals, Exchange Coupling Versus Structural Characteristics Analysis
Castell O, Caballol R, Subra R, Grand A
Journal of Physical Chemistry, 99(1), 154, 1995
6 Conformational Behavior and Magnetic-Properties of Organic Radicals Derived from Amino-Acid-Residues - The Dipeptide Analog of Glycine Radical
Barone V, Adamo C, Grand A, Brunel Y, Fontecave M, Subra R
Journal of the American Chemical Society, 117(3), 1083, 1995
7 Structure and ESR Features of Glycine Radical
Barone V, Adamo C, Grand A, Jolibois F, Brunel Y, Subra R
Journal of the American Chemical Society, 117(50), 12618, 1995
8 Spin-Density in a Nitronyl Nitroxide Free-Radical - Polarized Neutron-Diffraction Investigation and Ab-Initio Calculations
Zheludev A, Barone V, Bonnet M, Delley B, Grand A, Ressouche E, Rey P, Subra R, Schweizer J
Journal of the American Chemical Society, 116(5), 2019, 1994