Restoring the density-gradient expansion for exchange in solids and surfaces | Physical Review Letters | 2008 | 5.9K |
Evolution of Surface Functional Groups in a Series of Progressively Oxidized Graphite Oxides | Chemistry of Materials | 2006 | 1.4K |
Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits | Journal of Chemical Physics | 2005 | 658 |
Assessing the performance of recent density functionals for bulk solids | Physical Review B | 2009 | 530 |
Electrochemical Biosensors: Recommended Definitions and Classification | Pure and Applied Chemistry | 1999 | 504 |
Workhorse semilocal density functional for condensed matter physics and quantum chemistry | Physical Review Letters | 2009 | 426 |
Aromaticity of phosphorus heterocycles | Chemical Reviews | 2001 | 333 |
Magnetic field sensitive functional elastomers with tuneable elastic modulus | Polymer | 2006 | 311 |
An efficient linear-scaling CCSD(T) method based on local natural orbitals | Journal of Chemical Physics | 2013 | 294 |
Approximate treatment of higher excitations in coupled-cluster theory | Journal of Chemical Physics | 2005 | 293 |
Magnetic Field-Responsive Smart Polymer Composites | Advances in Polymer Science | 2007 | 290 |
High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification | Journal of Chemical Physics | 2006 | 277 |
Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed | Journal of Chemical Theory and Computation | 2009 | 273 |
Assessment of Recent Process Analytical Technology (PAT) Trends: A Multiauthor Review | Organic Process Research and Development | 2015 | 251 |
Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+ | Journal of Chemical Physics | 2007 | 248 |
Quality control criteria for solid-contact, solvent polymeric membrane ion-selective electrodes | Journal of Solid State Electrochemistry | 2009 | 231 |
Thermal analysis of cyclodextrins and their inclusion compounds | Thermochimica Acta | 2001 | 229 |
Intelligent polymer gels controlled by magnetic fields | Colloid and Polymer Science | 2000 | 227 |
Production, purification and properties of microbial phytases | Bioresource Technology | 2001 | 220 |
WO3 photocatalysts: Influence of structure and composition | Journal of Catalysis | 2012 | 219 |
Fast liquid chromatography: the domination of core-shell and very fine particles | Journal of Chromatography A | 2012 | 213 |
Polymer micro and nanocomposites: Structure, interactions, properties | Journal of Industrial and Engineering Chemistry | 2008 | 212 |
Photo- and thermal-oxidation of polyethylene: Comparison of mechanisms and influence of unsaturation content | Polymer Degradation and Stability | 2013 | 202 |
Flame retardancy of fibre-reinforced epoxy resin composites for aerospace applications | Polymer Degradation and Stability | 2011 | 198 |
Effect of fillers on the fire retardancy of intumescent polypropylene compounds | Polymer Degradation and Stability | 2003 | 197 |