| 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 functionals | Theoretical Chemistry Accounts | 2008 | 19.1K |
| Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions | Journal of Physical Chemistry B | 2009 | 8.7K |
| Density functionals with broad applicability in chemistry | Accounts of Chemical Research | 2008 | 5.3K |
| Encoding and decoding hydrogen-bond patterns of organic compounds | Accounts of Chemical Research | 1990 | 3.8K |
| A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions | Journal of Chemical Physics | 2006 | 3.6K |
| Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions | Journal of Chemical Theory and Computation | 2006 | 2.9K |
| AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules | Computer Physics Communications | 1995 | 2.5K |
| Graph-set analysis of hydrogen-bond patterns in organic crystals | Acta Crystallographica Section B: Structural Science | 1990 | 2.1K |
| Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes | Journal of Physical Chemistry B | 1998 | 2.1K |
| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package | Molecular Physics | 2015 | 2.1K |
| Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics | Chemical Reviews | 1999 | 2K |
| Cyanohydridoborate anion as a selective reducing agent | Journal of the American Chemical Society | 1971 | 1.6K |
| Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking | Nature Biotechnology | 2016 | 1.6K |
| Hybrid Meta Density Functional Theory Methods for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions: The MPW1B95 and MPWB1K Models and Comparative Assessments for Hydrogen Bonding and van der Waals Interactions | Journal of Physical Chemistry A | 2004 | 1.4K |
| Hybrid Inorganic–Organic Mesoporous Silicates—Nanoscopic Reactors Coming of Age | Advanced Materials | 2000 | 1.4K |
| Adiabatic Connection for Kinetics | Journal of Physical Chemistry A | 2000 | 1.3K |
| Contemporary Issues in Electron Transfer Research | The Journal of Physical Chemistry | 1996 | 1.3K |
| Synthesis of macroporous minerals with highly ordered three-dimensional arrays of spheroidal voids | Science | 1998 | 1.3K |
| Density functional theory for transition metals and transition metal chemistry | Physical Chemistry Chemical Physics | 2009 | 1.2K |
| Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen | AICHE Journal | 2001 | 1.2K |
| Catalysis research of relevance to carbon management: progress, challenges, and opportunities | Chemical Reviews | 2001 | 1.2K |
| Design of density functionals that are broadly accurate for thermochemistry, thermochemical kinetics, and nonbonded interactions | Journal of Physical Chemistry A | 2005 | 1.2K |
| Introduction to Organic Thin Film Transistors and Design of n-Channel Organic Semiconductors | Chemistry of Materials | 2004 | 1.2K |
| Reactivity of dioxygen-copper systems | Chemical Reviews | 2004 | 1.1K |
| Mesoporous Sieves with Unified Hybrid Inorganic/Organic Frameworks | Chemistry of Materials | 1999 | 1.1K |
