| 1 |
Multilevel geometry optimization
Rodgers JM, Fast PL, Truhlar DG
Journal of Chemical Physics, 112(7), 3141, 2000 |
| 2 |
High-field EPR study of resonance-delocalized [Fe-2(OH)(3)(tmtacn)(2)](2+)
Knapp MJ, Krzystek J, Brunel LC, Hendrickson DN
Inorganic Chemistry, 38(14), 3321, 1999 |
| 3 |
Isomerization and dissociation in competition: The two-component dissociation rates of methyl propionate ions
Mazyar OA, Baer T
Journal of Physical Chemistry A, 103(9), 1221, 1999 |
| 4 |
Positronium chemistry by quantum Monte Carlo. I. Positronium-first row atom complexes
Bressanini D, Mella M, Morosi G
Journal of Chemical Physics, 108(12), 4756, 1998 |
| 5 |
Magnetic interactions between a [4Fe-4S](1+) cluster and a flavin mononucleotide radical in the enzyme trimethylamine dehydrogenase: A high-field electron paramagnetic resonance study
Fournel A, Gambarelli S, Guigliarelli B, More C, Asso M, Chouteau G, Hille R, Bertrand P
Journal of Chemical Physics, 109(24), 10905, 1998 |
| 6 |
Simultaneous adjustment of experimentally based enthalpies of formation of CF3X, X = nil, H, Cl, Br, I, CF3, CN, and a probe of G3 theory
Ruscic B, Michael JV, Redfern PC, Curtiss LA, Raghavachari K
Journal of Physical Chemistry A, 102(52), 10889, 1998 |
| 7 |
EPR Studies of the Mixed-Metal Cubane-Type Complex Having a (Mo3Cus4(H2O)(10))(4+) Core
Miyamoto R, Kawata S, Iwaizumi M, Akashi H, Shibahara T
Inorganic Chemistry, 36(4), 542, 1997 |
| 8 |
A Low-Storage Filter Diagonalization Method for Quantum Eigenenergy Calculation or for Spectral-Analysis of Time Signals
Mandelshtam VA, Taylor HS
Journal of Chemical Physics, 106(12), 5085, 1997 |
| 9 |
Direct Perturbation-Theory of Relativistic Effects for Explicitly Correlated Wave-Functions - The He Isoelectronic Series
Ottschofski E, Kutzelnigg W
Journal of Chemical Physics, 106(16), 6634, 1997 |
| 10 |
Electron Delocalization and Magnetic-Interactions in Magnetic Molecular-Systems - Theory and Applications
Borrasalmenar JJ, Clemente JM, Coronado E, Palii AV, Tsukerblat BS
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 306, 209, 1997 |
