n II. Determination of the Dissociation Energy of the Cr =1–3). x Threshold Photoionization and Density Functional Theory Studies of the Niobium Carbide Clusters Nb3Cn (n = 1−4) and Nb4Cn (n = 1−6). 6 3 Relaxation of hcp(0001) surfaces: A chemical view. Masashi Kuwahara, Susumu Ogawa, Shinichi Ichikawa. Bing Zhao, Haiyan Lu, Ija Likhtina, Joseph Jules, John R. Lombardi. λ =  Mass-spectrometric study of formation and stability of manganese and manganese oxide cluster anions. N Theoretical study of the effect of nickel and tin doping in copper clusters. AunNi- Mechanistic Elucidation of the Structure and Reactivity of Bare and Hydride-Protected Ag17+ Clusters. The polarisability of Hg and the ground-state interaction potential of Hg2. Observation of a Jian-Gang Yao, Shuqing Yan, Bao-An Gong, Quan-Xun Yu, Yuan-Xu Wang. Isotopically resolved spectra of tungsten oxides in solid neon. Synthesis of CeF3 nanoparticles from water-in-oil microemulsions. +4 Spontaneous Electron Emission from Hot Silver Dimer Anions: Breakdown of the Born-Oppenheimer Approximation. n II: Vibrational analysis of the ÃE″2-X̃E′2 electronic transition. Sixteen electronic states of the iridium trimer (Ir3). Periodic vs. molecular cluster approaches to resolving glass structure and properties: Anorthite a case study. For some clusters the saturation with nitrogen causes a small degree of surface reconstruction that leads to the adsorption of additional nitrogen molecules. n Structures. vibronic states. 2 Bimetallic Pb n Cu n (n = 2–14) clusters were investigated by density functional theory. Hua-Jin Zhai, Bin Wang, Xin Huang and Lai-Sheng Wang . Al2O3. Esa Vehmanen, Vahan Ghazarian, Courtney Sams, Isahak Khachatryan, Jussi Eloranta, and V. A. Apkarian . A massively parallel {ital ab initio} computer code, which uses Gaussian bases, pseudopotentials, and the local density approximation, permits the study of transition-metal systems with literally hundreds of atoms. Qiuying Du, Xue Wu, Pengju Wang, Di Wu, Linwei Sai, R. Bruce King, Sung Jin Park, Structure Evolution of Transition Metal-doped Gold Clusters. Geometries and energy separations of 14 electronic states of Au Learn more ››. We’ve calculated the, Structural optimization for heteronuclear clusters consisting of one alkali-metal ion and of up to 79 neutral rare gas atoms has been carried out. van der Waals corrected density functional calculations of the adsorption of benzene on the Cu (111) surface. D.G. Irene Shim, Joseph E. Kingcade, Karl A. Gingerich. Ag Maurizio Avella,, Maria Emanuela Errico, and. Negative-ion photoelectron spectroscopy of Cu clusters reacted with NO molecules. The near infrared You may send this item to up to five recipients. Relativistic CASSCF/CI calculations: Applications to transition metal dihydrides. d Adsorption of O, O 2 and CO on iridium clusters and the investigations of their stability. R. Morris Bullock and Charles P. Casey. Electronic spectroscopy of neutral indium phosphide clusters. Observation of a Spin-Forbidden Optical Transition of Mo2 in a Molybdenum Cluster Beam. Zeitschrift für anorganische und allgemeine Chemie. 3F Electronic and vibrational structure of transition metal trimers: Photoelectron spectra of Ni Find more information on the Altmetric Attention Score and how the score is calculated. M. Kuhn, J.A. n n Ab initio Study of the genesis, structure, and reactions of small metal clusters using a rotating cryostat. , ( Temperature driven morphological changes of hydrothermally prepared copper oxide nanoparticles. 2. Synthesis of nanoparticles in helium droplets—A characterization comparing mass-spectra and electron microscopy data. Spectroscopy of silver dimers in triplet states. 2. María Marta Branda, Norge C. Hernández, Javier Fdez. P. S. Bechthold, H. Handschuh, H. Noack, W. Eberhardt. ( Efstathios E. Karagiannis, Christos E. Kefalidis, Ioanna Petrakopoulou, Constantinos A. Tsipis. In addition, a metal polyhydride cluster is considered to be a suitable and versatile precursor of the active species for multimetallic activation. Ground State Structures, Electronic and Magnetic Properties of ScnFe (n=2-10) Clusters. ab initio Jia Cao, Qi Li, Zhi Xiang Wang, Lou Jun Gao, Feng Fu, Bo Fan, Yao Wang. +1 Adsorption of CO on oxygen preadsorbed neutral and charged gas phase Pd K. Pak, W. C. Ermler, C. W. Kern, V. E. Bondybey. Rare gas atoms interact with the Lennard-Jones potential, whereas the interaction between a neutral atom and an ion impurity is given by the Mason–Schamp potential. Dynamics of Clusters Initiated by Photon and Surface Impact. Bondybey. (configuration interaction) calculations.