Most Cited Articles of Transition state

Brownian motion in a field of force and the diffusion model of chemical reactionsPhysica19406.8K
An improved algorithm for reaction path followingJournal of Chemical Physics19895.2K
Reaction path following in mass-weighted internal coordinatesThe Journal of Physical Chemistry19905K
The path of chemical reactions - the IRC approachAccounts of Chemical Research19814.4K
Escaping free-energy minimaProceedings of the National Academy of Sciences of the United States of America20023.7K
Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozymeJournal of Molecular Biology19763.5K
Current concepts in mild cognitive impairmentArchives of Neurology20013.5K
ReaxFF:  A Reactive Force Field for HydrocarbonsJournal of Physical Chemistry A20013.4K
Optimization of equilibrium geometries and transition structuresJournal of Computational Chemistry19823.1K
A Correlation of Reaction RatesJournal of the American Chemical Society19552.9K
Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent InteractionsJournal of Chemical Theory and Computation20062.9K
Electron transfer reactions in chemistry. Theory and experimentReviews of Modern Physics19932.7K
Asymmetric Transition Metal-Catalyzed Allylic AlkylationsChemical Reviews19962.6K
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 moleculesComputer Physics Communications19952.5K
Organocatalysis by N-heterocyclic carbenesChemical Reviews20072.4K
Advances in methods and algorithms in a modern quantum chemistry program packagePhysical Chemistry Chemical Physics20062.4K
Using redundant internal coordinates to optimize equilibrium geometries and transition statesJournal of Computational Chemistry19962.4K
Stereospecific Olefin Polymerization with Chiral Metallocene CatalystsAngewandte Chemie International Edition in English19952.3K
In the golden age of organocatalysisAngewandte Chemie - International Edition20042.3K
MOPAC: a semiempirical molecular orbital programJournal of Computer-Aided Molecular Design19902.3K
A complete basis set model chemistry. VI. Use of density functional geometries and frequenciesJournal of Chemical Physics19992.2K
Small-molecule H-bond donors in asymmetric catalysisChemical Reviews20072.1K
Approximate density functional theory as a practical tool in molecular energetics and dynamicsChemical Reviews19912.1K
Dynamic strength of molecular adhesion bondsBiophysical Journal19972.1K
The cucurbit[n]uril familyAngewandte Chemie - International Edition20052K