Assessing the performance of recent density functionals for bulk solids | Physical Review B | 2009 | 530 |
Workhorse semilocal density functional for condensed matter physics and quantum chemistry | Physical Review Letters | 2009 | 426 |
Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed | Journal of Chemical Theory and Computation | 2009 | 273 |
Quality control criteria for solid-contact, solvent polymeric membrane ion-selective electrodes | Journal of Solid State Electrochemistry | 2009 | 231 |
A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes | Journal of Chemical Physics | 2009 | 174 |
Nonylphenol, octylphenol, and bisphenol-A in the aquatic environment: a review on occurrence, fate, and treatment | Journal of Environmental Science and Health - Part A Toxic/Hazardous Substances and Environmental Engineering | 2009 | 162 |
Evaluation of Density Functionals and Basis Sets for Carbohydrates | Journal of Chemical Theory and Computation | 2009 | 157 |
Electrosynthesized Surface-Imprinted Conducting Polymer Microrods for Selective Protein Recognition | Advanced Materials | 2009 | 125 |
Comparison of different force fields for the study of disaccharides | Carbohydrate Research | 2009 | 78 |
FTIR-ATR Study of Water Uptake and Diffusion Through Ion-Selective Membranes Based on Plasticized Poly(vinyl chloride) | Electroanalysis | 2009 | 64 |
Shell and small particles; evaluation of new column technology | Journal of Pharmaceutical and Biomedical Analysis | 2009 | 60 |
FTIR-ATR study of water uptake and diffusion through ion-selective membranes based on poly(acrylates) and silicone rubber | Analytical Chemistry | 2009 | 52 |
Synthesis, electronic properties, and reactivity of phospholes and 1,1'-biphospholes bearing 2- or 3-thienyl C-substituents | Chemistry - A European Journal | 2009 | 49 |
Rapid high performance liquid chromatography method development with high prediction accuracy, using 5cm long narrow bore columns packed with sub-2microm particles and Design Space computer modeling | Journal of Chromatography A | 2009 | 46 |
Thermal analysis and compatibility studies of prednicarbate with excipients used in semi solid pharmaceutical form | Journal of Thermal Analysis and Calorimetry | 2009 | 45 |
Synthesis and optical characterization of novel enantiopure BODIPY linked azacrown ethers as potential fluorescent chemosensors | Tetrahedron | 2009 | 43 |
Aromatic Phosphorus Heterocycles | Topics in Heterocyclic Chemistry | 2009 | 43 |
Group 12 dihalides: structural predilections from gases to solids | Chemistry - A European Journal | 2009 | 41 |
Structure of the Liquid−Vapor Interface of Water−Acetonitrile Mixtures As Seen from Molecular Dynamics Simulations and Identification of Truly Interfacial Molecules Analysis | Journal of Physical Chemistry C | 2009 | 40 |
Molecular Level Properties of the Water−Dichloromethane Liquid/Liquid Interface, as Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis | Journal of Physical Chemistry C | 2009 | 40 |
Identification of a novel inhibitor of JAK2 tyrosine kinase by structure-based virtual screening | Bioorganic and Medicinal Chemistry Letters | 2009 | 39 |
Regularized Gradient Expansion for Atoms, Molecules, and Solids | Journal of Chemical Theory and Computation | 2009 | 34 |
Phase transformations of ammonium tungsten bronzes | Journal of Thermal Analysis and Calorimetry | 2009 | 32 |
Quantitative determination of famotidine polymorphs: X-ray powder diffractometric and Raman spectrometric study | Journal of Pharmaceutical and Biomedical Analysis | 2009 | 31 |
Accelerated development procedure for molecularly imprinted polymers using membrane filterplates | ACS Combinatorial Science | 2009 | 31 |