| P50 | author | Xun-Lei Ding | Q46660864 |
| | Sheng-Gui He | Q46905193 |
| P2093 | author name string | Yan-Xia Zhao | |
| | Zi-Yu Li | |
| | Jing-Heng Meng | |
| P2860 | cites work | Optimization by Simulated Annealing | Q25939004 |
| | C60: Buckminsterfullerene | Q29013831 |
| | Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements | Q29542571 |
| | Periodic density functional theory study of methane activation over La(2)O(3): activity of O(2-), O(-), O(2)(2-), oxygen point defect, and Sr(2+)-doped surface sites | Q30309621 |
| | Density functional study on cage and noncage (Fe2O3)n clusters | Q33399558 |
| | Hydrogen-atom abstraction from methane by stoichiometric vanadium-silicon heteronuclear oxide cluster cations. | Q33688266 |
| | Experimental and theoretical study of hydrogen atom abstraction from n-butane by lanthanum oxide cluster anions. | Q33990675 |
| | Endohedral silicon fullerenes sinN (27 < or = N < or = 39). | Q40474555 |
| | Infrared spectra of oxygen-rich yttrium and lanthanum dioxygen/ozonide complexes in solid argon | Q43283209 |
| | Lowest-energy structures and electronic properties of Na-Si binary clusters from ab initio global search | Q43751142 |
| | Au20: a tetrahedral cluster | Q44307075 |
| | Micropatterning of lanthanum-based oxide thin film on self-assembled monolayers | Q44896981 |
| | Superatom compounds, clusters, and assemblies: ultra alkali motifs and architectures | Q44931136 |
| | A topological method for global optimization of clusters: application to (TiO2)n (n = 1-6). | Q46265087 |
| | Identification of conical structures in small aluminum oxide clusters: infrared spectroscopy of (Al2O3)1-4(AlO)+. | Q50456697 |
| | Gas phase vibrational spectroscopy of mass-selected vanadium oxide anions. | Q50643465 |
| | Geometries and magnetisms of the Zr(n) (n=2-8) clusters: the density functional investigations. | Q51192196 |
| | Identifying clusters as low-lying mimina--efficiency of stochastic and genetic algorithms using inexpensive electronic structure levels. | Q51475826 |
| | Ab initio energy landscape of LiF clusters. | Q51679492 |
| | Theoretical study of Cu(38-n)Au(n) clusters using a combined empirical potential-density functional approach. | Q51778120 |
| | Funnel hopping: Searching the cluster potential energy surface over the funnels. | Q51822758 |
| | Energetic, electronic, and thermal effects on structural properties of Ag-Au nanoalloys. | Q51852360 |
| | Optimization of bimetallic Cu-Au and Ag-Au clusters by using a modified adaptive immune optimization algorithm. | Q51857025 |
| | Structural transition of hexagonal tube to rocksalt for (MgO)3n, 2| Q51871715 | |
| | Structure and stability of small TiO2 nanoparticles. | Q51937186 |
| | Hollow cages versus space-filling structures for medium-sized gold clusters: the spherical aromaticity of the Au50 cage. | Q51938013 |
| | Structures of bimetallic clusters. | Q51952398 |
| | Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy. | Q51961792 |
| | Search for the Lin(0/+1/-1) (n = 5-7) Lowest-Energy Structures Using the ab Initio Gradient Embedded Genetic Algorithm (GEGA). Elucidation of the Chemical Bonding in the Lithium Clusters. | Q51970282 |
| | An adaptive immune optimization algorithm for energy minimization problems. | Q51993352 |
| | Molecular geometry optimization with a genetic algorithm. | Q52335927 |
| | Structural diversity and flexibility of MgO gas-phase clusters. | Q52898219 |
| | Unexpected structures of aluminum oxide clusters in the gas phase. | Q52926808 |
| | Cluster-assembled materials. | Q53515867 |
| | Photodissociation of yttrium and lanthanum oxide cluster cations. | Q54312623 |
| | Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms | Q56688516 |
| | Refinement of the crystal structure of In2O3 at two wavelengths | Q56805279 |
| | The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun | Q57402104 |
| | A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions | Q58201162 |
| | Global optimization | Q58858354 |
| | Global geometry optimization of clusters using genetic algorithms | Q58858751 |
| | Structure and thermal stability of gold nanoclusters: The Au38 case | Q58929161 |
| | Structures of medium-sized silicon clusters | Q59051816 |
| P433 | issue | 21 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 214311 | |
| P577 | publication date | 2012-12-01 | |
| P1433 | published in | Journal of Chemical Physics | Q900472 |
| P1476 | title | Density-functional global optimization of (La2O3)n clusters. | |
| P478 | volume | 137 | |