SEARCH Articles Figures Tables A Simple Potential Function for Diatomic Molecules AMBER potential energy functions Actual potential functions Advanced Functionalization of Potential 9-Epi Precursors An Introduction to Potential Functions and Surfaces—Bond Stretches Analytical potential energy function characteristics Anharmonic potential function Anisotropic potential energy function Anisotropic potential functions Anomeric effect potential-function calculations Application of Intermolecular Potential-energy Functions Artificial potential function Basis functions Coulomb potential derivatives Bending potential functions, metal Bessel function potentials Biopolymers, potential energy functions Breit potential functions Buckingham nonbonding potential functions Buckingham-type potential functions CHARMM potential energy function Calculation of Potential Functions Catalyst Work Function Variation with Potential in Solid Electrolyte Cells Catastrophes described by Thom potential functions of one variable Cell potential thermodynamic function Cell potentials Gibbs function from Chains potential function Chemical potential from partition function Class-modelling methods potential functions Classification potential functions Consistent force field potential energy function Coulomb Potential Functions Coulomb potential energy function Density Functional Theory external potential Density Functional Theory spin potential Density functional derivative Frechet, local potential Density functional full-potential linearized augmented plane wave method Density functional perturbation theory chemical potential Density functional potential Density functional theory electronic chemical potential Density functional theory exact exchange potential Density functional theory optimized effective potential Density functional theory potential Density functional theory potential energy surfaces Density functional theory redox potential Density-Based Methods (Potential Functions) Density-based methods potential function method Effective potential energy functions Effective potential functions Eigenvalues potential function Elastic potential functions Electric potential function, estimating Electronic Structure. Potential Energy Functions Electronic wave functions Electron-repulsion potentials Electrostatic Effectiveness as a Function of Potential Electrostatic potential wave function analysis Electrostatic potential, molecular interactive electronic density function Empirical potential energy functions Empirical potential functions Energy function, potential channel model Energy function, potential three-body Exchange-correlation functional/potential Extended structures intramolecular potential functions Field Potential and Basis Functions Form of Potential Functions Forms of Potential Energy Functions Fourier potential functions Fukui function Kohn-Sham potential Function, nonbonded potential Functional Properties and Application Potential Functional Properties and Application Potential of Xyloglucans Functional derivatives and local potentials Functional groups water solubilizing potential Functions, mathematical form potential Functions, potential Terms Links Grand canonical ensemble partition function potentials Grand-potential functional Green’s function optical potential HB Potential by Gaussian Functions Harmonic potential function Herbs A Potential Ingredient to Functional Foods Hessian potential energy functions High-potential iron proteins function Hybrid potential function Hydrogen bonding potential functions INDEX potential functions Interaction Potential and Partition Function Interaction potential wave functions Interatomic potential energy function Interfacial potential function Intermolecular potential functions Intermolecular potentials energy functions Inversion of experimental data to calculate the potential function (RKR) Isotropic potentials, orientational distribution function Knowledge-based potential function Lennard-Jones 12-6 potential energy functions Lennard-Jones 6-12 potential function Lennard-Jones 6-12 potential function description Lennard-Jones intermolecular potential function, equation Lennard-Jones potential energy function molecular dynamics calculations Local potential function, kinetic energy Magnesium potential functions Many-body analytic potential energy function Menthene, electrostatic potential functional groups Modified Electrodes Switchable by Applied Potentials Resulting in Electrochemical Transformations at Functional Interfaces Molecular mechanics potential functions Morse potential function Nematic potentials orientational distribution function Non-central Potential Functions One Potentially Tautomeric Functional Group Optimised potential energy functions Optimized potential energy functions Orbital functionals external potential Other Potential Functions Oxidation potential, functional group Pair potential energy function Pair potential function Parameters for potential functions Particles, potential energy function Partition function intermolecular-potential-based Partition function potentials Partition function, potential energy surfaces Partition function, potential energy surfaces rate constants Perturbation theory potential energy function Polarizable intermolecular potential functions Polymers Potential energy function Position-dependent rate Potential energy functions Potential (Electrogravimetric) Transfer Function Potential Energy Function Potential Energy Functional Forms Potential Functions and Repulsive Forces Potential Functions for Anisotropic Molecules Potential Functions of Calmodulin-Kinase II in Smooth Muscle Potential barrier, effect function Potential density function Potential energy Hamiltonian function relationship Potential energy Hartree-Fock functions Potential energy Morse functions Potential energy as a function Potential energy as a function of torsion angle for ethane Potential energy curves wave functions Potential energy function ECEPP Potential energy function additivity Potential energy function calculation Potential energy function collisions Potential energy function defined Potential energy function determination Potential energy function determination calculations Potential energy function determination minimal expansion Potential energy function minimization Potential energy function parameters Potential energy function parametrization Potential energy function refinement Potential energy function structures Potential energy function transferability Potential energy function, curvature Potential energy function, equivalent Potential energy function, equivalent representations Potential energy function, for Potential energy function, partitioned Potential energy functions Optimisations Potential energy functions Recommendations Potential energy functions and chemical reactions Potential energy functions bond stretching Potential energy functions first excited singlet state Potential energy functions interactions) Potential energy functions protein force fields Potential energy functions torsions Potential energy functions valence angle bending Potential energy functions, diatomic Potential energy functions, molecular dynamics Potential energy surfaces density functions Potential energy-distance function Potential function Born-Mayer Potential function based network Potential function for ions Potential function inversion Potential function parameters Potential function parametrisation Potential function square-well Potential function torsion Potential function, Fourier component Potential function, Fourier component analysis Potential functions Lennard-Jones form Potential functions binary Potential functions configurational Potential functions evaluation Potential functions extended atoms Potential functions features Potential functions hard-core Potential functions harmonic interaction Potential functions induced-dipole terms Potential functions interatomic Potential functions intramolecular Potential functions medium-range Potential functions minimization Potential functions nonbonded interactions Potential functions of one variable Potential functions parameter determination Potential functions quadratic Potential functions quantum-mechanical problem Potential functions selection principles Potential functions silicon Potential functions theoretical basis Potential functions torsional motion Potential functions, thermodynamic Potential response function Potential sweep function, partial Potential switching function Potential-function calculations, anomeric Potentials potential functions Potentials potential functions Potentials, Surface Potential Differences, and the Thermionic Work Function Quadratic potential energy functions Redox potentials, calculations density functional theory Regular points of potential functions Relationships between potential functions and the vibration-rotation levels Root-mean-square-deviation potential energy function Rotational Constants. Potential Energy Functions Scalar velocity potential functional form Second virial coefficient from potential function Simple harmonic potential function Size-dependent potential energy function Size-dependent potential energy function results Spin-potential in density functional theory framework Stream function potential flow Structure potential functions Structure-Function Correlations High Potential Iron Problems Structure-Function Correlations in High Potential Iron Problems Surface potential work function Symmetrical Potential Functions Thermionic work function contact potential Three-dimensional potential functions Time-correlation function potential Time-dependent density functional theory effective potential Torsional potential energy functions Torsional potential functions Torsional potential functions 282 Subject Transferable intermolecular potential functions Two-body potential functions Van-der-Waals potential function Vibrational potential functions with more than one minimum Vibrational wave functions anharmonic potential Wave function Coulomb potential derivatives Work Function and Inner Potential Change