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Elsevier电子期刊(13)

在“Elsevier电子期刊”中，命中：13条，耗时：0.0229915 秒

在所有数据库中总计命中：41条

1.Evolution of the structural and electronic properties of small alkali metal-doped aluminum clusters

作者：K.O. Alcantar-Medina^a ; M. Herrera-Trejo^a ; A. Tlahuice-Flores^b ; S. Martinez-Vargas^c ; J. Oliva^a ; A.I. Martinez^a ; ^d ; ^{mtz.art@gmail.com} ; ^{arturo.martinez@cinvestav.mx}

关键词：Aluminum clusters ; Basin hopping algorithm ; Density functional theory ; Electronic localization function ; Quantum theory of atoms in molecules

刊名：Computational and Theoretical Chemistry

出版年：2017

2.Mössbauer spectral curve fitting combining fundamentally different techniques

作者：Ferry Susanto^a ; ^b ; ^c ; ; Paulo de Souza Jr.^a ; ^c

关键词：Mö ; ssbauer spectroscopy ; Curve-fitting ; Global optimisation ; Local optimisation ; Chi-square test

刊名：Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

出版年：2016

3.Muse: Multi-algorithm collaborative crystal structure prediction

作者：Zhong-Li Liu ; ^{zl.liu@163.com" class="auth_mail}

关键词：Multi-algorithm collaboration ; Crystal structure prediction ; Ab initio ; Free energy

刊名：Computer Physics Communications

出版年：July 2014

4.Finding low energy minima of (H₂O)₂₅ and (H₂O)₃₀ with temperature basin paving Monte Carlo method with effective fragment potential: New ¡®global minimum¡¯ and graph theoretical characterization of low energy

作者：Avijit Rakshit ; Pradipta B ; yopadhyay

关键词：Monte Carlo ; Global optimization ; Water clusters

刊名：Computational and Theoretical Chemistry

出版年：2013

5.Local search based heuristics for global optimization: Atomic clusters and beyond

作者：Marco Locatelli^a ; ^{locatell@ce.unipr.it} ; Fabio Schoen^b ; ^{fabio.schoen@unifi.it}

关键词：Global Optimization ; Neighborhood structures ; Diversification ; Basin Hopping ; Population based methods ; Atomic clusters

刊名：European Journal of Operational Research

出版年：2012

6.The structural and electronic properties of small osmium clusters (2-14): A density functional theory study

作者：Keisuke Takahashi^a ; ^{keisuke.takahashi@eng.hokudai.ac.jp} ; Shigehito Isobe^a ; ^b ; Somei Ohnuki^a

刊名：Chemical Physics Letters

出版年：2013

7.Efficient conformational sampling by Monte Carlo Basin Paving method: Distribution of minima on the energy surface of (H₂O)₂₀ and (H₂O)₅₀

作者：Pradipta B ; yopadhyay

刊名：Chemical Physics Letters

出版年：2010

8.Structures and stability of Ag clusters on Ag(1 1 1) and Ni(1 1 1) surfaces

作者：Elisaveta Hristova ; Valeri G. Grigoryan ; Michael Springborg

关键词：Adatoms ; Growth ; Surface structure ; morphology ; roughness ; and topography ; Silver ; Nickel

刊名：Surface Science

出版年：2009

9.The effect of increasing the excitation level of the sodium atom on the structure of the Na^*Ar_n polyatomic exciplexes

作者：M. Ben El Hadj Rhouma ; M. Bouaoun and Z. Ben lakhdar

关键词：Pseudopotential ; Quantum classical method ; Basin Hopping algorithm ; Clusters ; Structures ; Rydberg States

刊名：Journal of Molecular Spectroscopy

出版年：2006

10.An Evolutionary Strategy for All-Atom Folding of the 60-Amino-Acid Bacterial Ribosomal Protein L20

作者：A. Schug ; W. Wenzel

刊名：Biophysical Journal

出版年：2006

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