Published in Nanomaterials (Basel) on June 30, 2017
VMD: visual molecular dynamics. J Mol Graph (1996) 117.02
Generalized Gradient Approximation Made Simple. Phys Rev Lett (1996) 99.29
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys Rev B Condens Matter (1988) 93.32
Density-functional exchange-energy approximation with correct asymptotic behavior. Phys Rev A Gen Phys (1988) 39.03
Accurate and simple analytic representation of the electron-gas correlation energy. Phys Rev B Condens Matter (1992) 13.18
Density-functional approximation for the correlation energy of the inhomogeneous electron gas. Phys Rev B Condens Matter (1986) 12.33
Onset of catalytic activity of gold clusters on titania with the appearance of nonmetallic properties Science (1998) 3.74
cclib: a library for package-independent computational chemistry algorithms. J Comput Chem (2008) 3.69
Nanoalloys: from theory to applications of alloy clusters and nanoparticles. Chem Rev (2008) 3.24
The impact of nanoscience on heterogeneous catalysis. Science (2003) 2.36
Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gas Phys Rev B Condens Matter (1986) 2.06
Au20: a tetrahedral cluster. Science (2003) 1.57
Observation of an all-boron fullerene. Nat Chem (2014) 1.51
Developing paradigms of chemical bonding: adaptive natural density partitioning. Phys Chem Chem Phys (2008) 1.43
Structures of neutral Au7, Au19, and Au20 clusters in the gas phase. Science (2008) 1.04
Revealing intuitively assessable chemical bonding patterns in organic aromatic molecules via adaptive natural density partitioning. J Org Chem (2008) 0.96
Deciphering chemical bonding in golden cages. J Phys Chem A (2009) 0.91
Complexes between planar boron clusters and transition metals: a photoelectron spectroscopy and ab initio study of CoB12(-) and RhB12(-). J Phys Chem A (2014) 0.83
Structure determination of isolated metal clusters via far-infrared spectroscopy. Phys Rev Lett (2004) 0.83
Communication: structure of magnetic lanthanide clusters from far-IR spectroscopy: Tb(n)+ (n = 5-9). J Chem Phys (2013) 0.82
Exploring the chemical bonding, infrared and UV-vis absorption spectra of OH radicals adsorption on the smallest fullerene. Spectrochim Acta A Mol Biomol Spectrosc (2015) 0.79
Magnetic moments of iron clusters with 25 to 700 atoms and their dependence on temperature. Phys Rev Lett (1993) 0.79
The nature of structure and bonding between transition metal and mixed Si-Ge tetramers: A 20-electron superatom system. J Comput Chem (2016) 0.78
Evolution of the Electronic Structure of Small Vanadium Clusters from Molecular to Bulklike. Phys Rev Lett (1996) 0.78
Structure determination of small vanadium clusters by density-functional theory in comparison with experimental far-infrared spectra. J Chem Phys (2005) 0.77
Optical absorption spectra of gold clusters Au(n) (n = 4, 6, 8,12, 20) from long-range corrected functionals with optimal tuning. J Chem Phys (2012) 0.77
A theoretical study on Ta(n)+ cluster cations: structural assignments, stability, and electronic properties. J Chem Phys (2012) 0.77
Electronic structure and magnetism of small V and Cr clusters. Phys Rev B Condens Matter (1993) 0.77
Isomerism and structural fluxionality in the Au26 and Au26(-) nanoclusters. ACS Nano (2014) 0.77
Magnetic studies of free nonferromagnetic clusters. Phys Rev B Condens Matter (1992) 0.77
Effect of Alkali Metal Atoms Doping on Structural and Nonlinear Optical Properties of the Gold-Germanium Bimetallic Clusters. Nanomaterials (Basel) (2017) 0.75