1 - 6 |
Elimination of singularities in molecular orbital derivatives: minimum orbital-deformation (MOD) method Toyota K, Ehara M, Nakatsuji H |
7 - 13 |
Consequences of accidental degeneracy within density functional theory: the enigmatic structure of boron nitrosyl Tian WQ, Orlova G, Goddard JD |
14 - 22 |
Vibrational energy transfer in molecular oxygen collisions Coletti C, Billing GD |
23 - 28 |
Geometric structure of (NaCl)(4) clusters studied with XANES at the chlorine L-edge and at the sodium K-edge Yalovega G, Soldatov AV, Riedler M, Pederson MR, Kolmakov A, Nowak C, Moller T |
29 - 35 |
Fermi-Pasta-Ulam recurrences, normal modes and wave-packet revivals Ermoshin VA, Erdmann M, Engel V |
36 - 42 |
Ionization potentials of small tin clusters: first principles calculations Majumder C, Kumar V, Mizuseki H, Kawazoe Y |
43 - 48 |
The fine-structure in the lowest triplet state of C-60 and C-70 Visser J, Groenen EJJ |
49 - 54 |
Adenine, deoxyadenosine and deoxyadenosine 5'-monophosphate studied by femtosecond fluorescence upconversion spectroscopy Gustavsson T, Sharonov A, Onidas D, Markovitsi D |
55 - 62 |
Circular autowave pacemakers in thin-layered zirconium oxyhydrate Sukharev YI, Markov BA, Antonenko IV |
63 - 72 |
Avoided curve crossings for the dissociation reaction of the Rydberg H3O radical into (OH+H-2) Park JK, Kim BG, Koo IS |
73 - 78 |
beta-VO2 - a V(IV) or a mixed-valence V(111)-V(V) oxide-studied by V-51 MAS NMR spectroscopy Nielsen UG, Skibsted J, Jakobsen HJ |
79 - 83 |
Molecular modeling study of hydrogen storage in carbon nanotubes Dodziuk H, Dolgonos G |
84 - 90 |
Intramolecular and intermolecular vibrational energy relaxation of CH2I2 dissolved in supercritical fluid Sekiguchi K, Shimojima A, Kajimoto O |
91 - 100 |
Spectroscopy and structure of styrene (water)(n) and styrene (methanol)(n) clusters, n=1, 2 Mahmoud H, Germanenko IN, Ibrahim Y, El-Shall MS |
101 - 108 |
A morphed ground state potential for Ne : HI based on microwave spectroscopy Lin P, Jabs W, Lucchese RR, Bevan JW, Brugh DJ, Suenram RD |
109 - 119 |
Heats of formation for the boron hydrides: a Gaussian-3 study Cheng MF, Ho HO, Lam CS, Li WK |
120 - 126 |
A quasiclassical trajectory study of the H+H2O -> OH+H-2 reaction dynamics at 1.4 eV collision energy on a new ab initio potential energy surface Castillo JF, Aoiz FJ, Banares L |
127 - 132 |
Charge-transfer molecular dynamics of aluminium nitride Cata GF, Lorenzo GR, Odriozola JA, Alvarez LJ |
133 - 139 |
Cis-trans isomerization equilibrium in hydroquinone in low-temperature argon and xenon matrices studied by FTIR spectroscopy Akai N, Kudoh S, Takayanagi M, Nakata M |
140 - 146 |
Calculation of the rotational viscosity of a nematic liquid crystal Cheung DL, Clark SJ, Wilson MR |
147 - 152 |
Dynamical pathways for isomerization processes in the water nonamer Rodriguez J, Moriena G, Laria D |
153 - 160 |
Photoionization of oriented molecules: a time dependent density functional approach Stener M |
161 - 167 |
Effects of composition and structure on spectral properties of Eu3+-doped yttrium silicate transparent nanocrystalline films by metallorganic decomposition method Zhang QY, Pita K, Ye W, Que WX, Kam CH |
168 - 174 |
Solid-liquid phase diagram of the water octamer Ocasio M, Lopez GE |
175 - 180 |
Hexakisaddu ct C-60-Ag nanocomposite: fabrication and optical limiting effect Sun N, Guo ZX, Dai LM, Zhu DB, Wang YX, Song YL |
181 - 187 |
Formation of HCNO and HCN in the 193 nm photolysis of H2CCO in the presence of NO Eshchenko G, Kocher T, Kerst C, Temps F |