10665 - 10678 |
Density Functional Study of the Stable Oxidation States and the Binding of Oxygen in MO4 Clusters of the 3d Elements Uzunova EL |
10679 - 10688 |
Influence of Turn (or Fold) and Local Charge in Fragmentation of the Peptide Analogue Molecule CH3CO-Gly-NH2 Following Single-Photon VUV (118.22 nm) Ionization Bhattacharya A, Bernstein ER |
10689 - 10697 |
Single- and Two-Photon Excited Fluorescence in Organic Nonlinear Optical Single Crystal 3-(1,1-Dicyanoethenyl)-1-phenyl-4,5-dihydro-1H-pyrazole Miniewicz A, Palewska K, Sznitko L, Lipinski J |
10698 - 10707 |
The Effects of Electron-Hole Pair Coupling on the Infrared Laser-Controlled Vibrational Excitation of NO on Au(111) Tremblay JC, Monturet S, Saalfrank P |
10708 - 10719 |
Phonon, IR, and Raman Spectra, NMR Parameters, and Elastic Constant Calculations for AlH3 Polymorphs Vajeeston P, Ravindran P, Fjellvag H |
10720 - 10728 |
Measurement of Absolute Absorption Cross Sections for Nitrous Acid (HONO) in the Near-Infrared Region by the Continuous Wave Cavity Ring-Down Spectroscopy (cw-CRDS) Technique Coupled to Laser Photolysis Jain C, Morajkar P, Schoemaecker C, Viskolcz B, Fittschen C |
10729 - 10737 |
Microscopic Calculations of Hugoniot Curves of Neat Triaminotrinitrobenzene (TATB) and of Its Detonation Products Bourasseau E, Maillet JB, Desbiens N, Stoltz G |
10738 - 10743 |
Dynamics of Intramolecular Electron Transfer in Dinitrodibenzodioxin Radical Anions Telo JP, Moneo A, Carvalho MFNN, Nelsen SF |
10744 - 10748 |
Heterogeneous Reaction of Suspended Phosmet Particles with NO3 Radicals Liu CG, Gan J, Zhang Y, Liang M, Shu X, Shu JN, Yang B |
10749 - 10761 |
Simulating Picosecond Iron K-Edge X-ray Absorption Spectra by ab Initio Methods To Study Photoinduced Changes in the Electronic Structure of Fe(II) Spin Crossover Complexes Van Kuiken BE, Khalil M |
10762 - 10766 |
Origin of Ultrafast Excited State Dynamics of 1-Nitropyrene Murudkar S, Mora AK, Singh PK, Nath S |
10767 - 10774 |
Deuterium Enrichment of Interstellar Methanol Explained by Atom Tunneling Goumans TPM, Kastner J |
10775 - 10782 |
Temporary Anion States of Pyrimidine and Halopyrimidines Modelli A, Boognesi P, Avaldi L |
10783 - 10788 |
Matrix Infrared Spectroscopic and Computational Studies on the Reactions of Osmium and Iron Atoms with Carbon Monoxide and Dinitrogen Mixtures Lu ZH, Xu Q |
10789 - 10794 |
Bonding and Magnetic Response Properties of Several Toroid Structures. Insights of the Role of Ni2S2 as a Building Block from Relativistic Density Functional Theory Calculations Munoz-Castro A |
10795 - 10800 |
Theoretical Prediction of the Spin-Spin Coupling Constants between an Axis and Macrocycle of a Rotaxane Pikulska A, Kauch M, Pecul M |
10801 - 10813 |
Treatment of the Multimode Jahn-Teller Problem in Small Aromatic Radicals Gruden-Pavlovic M, Garcia-Fernandez P, Andjelkovic L, Daul C, Zlatar M |
10814 - 10822 |
Bridge-Mediated Excitation Energy Transfer Pathways through Protein Media: a Slater Determinant-Based Electronic Coupling Calculation Combined with Localized Molecular Orbitals Kawatsu T, Matsuda K, Hasegawa J |