Concepedia

Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

Felipe A. Bulat, Alejandro Toro‐Labbé, Tore Brinck, Jane S. Murray, Peter Politzer

Journal of Molecular Modeling · 2010 · 1.2K citations · 45 references

Concepts

Natural SciencesChemistryPhysicsPhysical ChemistrySurface ChemistryTheoretical ChemistryInteratomic PotentialsIntermolecular ForcesMolecular ModelingSurface EnergeticsSurface PhysicsSurface ThermodynamicsElectrostatic Potential CalculationsElectrostatic Surface PotentialIntermolecular Potential Energy SurfacesIonizationMolecular Potential Energy SurfacesMultidimensional Potential Energy SurfacesTopology Of Potential Energy Surfaces

References

45

van der Waals Volumes and Radii

A. Bondì · The Journal of Physical Chemistry · 1964 · 19.2K citations

Natural Sciences, Chemistry, Analytical Chemistry +8

<i>Molecular Theory of Gases and Liquids</i>

Joseph O. Hirschfelder, C. F. Curtiss, R. Byron Bird · Physics Today · 1955 · 11.4K citations

Natural Sciences, Chemistry, Physics +14

Marching cubes: A high resolution 3D surface construction algorithm

William E. Lorensen, H. E. Cline · ACM SIGGRAPH Computer Graphics · 1987 · 8.5K citations

Computing, Radiology, Visualization +17

The interpretation of protein structures: Estimation of static accessibility

B. Lee, F.M. Richards · Journal of Molecular Biology · 1971 · 5.9K citations

Life Sciences, Biochemistry, Biophysics +12

Molecular theory of gases and liquids

Robert L. Scott · Journal of Chemical Education · 1955 · 3.9K citations

Natural Sciences, Chemistry, Chemical Kinetics +5