SEARCH Articles Figures Tables Ab Initio, Density-Functional, Semiempirical, and Molecular-Mechanics Methods Active sensing transfer function methods Advanced ab initio Methods, Density Functional Theory and Solid-state Quantum Mechanics Amsterdam Density Functional method Analytical methods Continuous functions Atoms density functional method Autocorrelation function method Autocovariance function methods B3LYP density functional methods B3LYP functional method Barrier function methods Basis functions semiempirical methods Best Synthetic Methods Functional Group Protection Best Synthetic Methods Functional Group Transformations Best Synthetic Methods Functionalization of Aromatic and Block localized wave function method Brown function method Carbon nanotubes functionalization methods Centroid methods distribution function Centroid methods time correlation functions Chain transfer agent functional polymer method Class-modelling methods potential functions Cluster expansion methods wave-function Collocation Method trial function Computational Methods Involving Functionalization Computational chemistry density functional method Computational methods density functional Computational methods density functional theory Constrained density functional method Correlating functions correlated methods Correlation function first-zero method Correlation function maximum entropy method Coupled pair functional method Crystal orbitals from Bloch functions (LCAO CO method) DFTB method functional-based tight-binding Damage function method Densely functionalized molecules, methods Density function method Density function method Kohn-Sham orbital Density functional elongation method Density functional full-potential linearized augmented plane wave method Density functional methods Density functional methods, DFT Density functional methods, nonlinear optics Density functional theories methods development Density functional theory (DFT) methods Density functional theory B3LYP method Density functional theory Kohn-Sham method Density functional theory electronic structure methods Density functional theory gradient-corrected methods Density functional theory mathematical methods Density functional theory methods Density functional theory methods calculations Density functional theory methods determination Density functional theory methods time-dependent extension Density functional-based tight-binding method Density functionals Slater-Kohn-Sham-type methods Density functionals connection methods Density-Based Methods (Potential Functions) Density-based methods Gaussian functions Density-based methods potential function method Density-functional LCAO Methods for Solids Density-functional theory related methods Density-functional tight-binding DFTB) method Density-functional tight-binding method Diffusion Monte Carlo method trial functions Direct methods discrete-valued functions Discrete variational methods basis functions Dynamic methods function derivation Electron correlation method Density-functional theory Mpller-Plesset Electron correlation method, Density-functional theory Electronic states density functional method Electronic structure Green-function methods Electronic structure methods B3LYP functional Electronic structure methods exchange-correlation functional Electronic structure methods periodic density functional theory Energy distribution functions numerical methods Euler-Lagrange functional method Excess Gibbs Function - Experimental Methods Explicitly correlated methods Hylleraas function Explicitly correlated methods correlating functions Finite element method shape functions Force field methods functional forms Force field methods functional groups Forcing function method Free-energy functional method, interface Free-energy functional method, interface solutions Fukui function computing methods Fukui function finite difference method Function Newton s method Function Secant method Function approximation method Function inverse rational interpolation method Function prediction method Function regula Falsi method Function studies, HPLC method Function-Based Methods Functional Analysis modified methods Functional Methods in Biomolecular Modeling Functional Theory Methods Functional Theory Methods for Electrocatalysis Functional assays methods Functional bioassays methods Functional counterpoise method Functional foods, in carbohydrates HPAEC-PAD method Functional group analysis indirect methods Functional group direct methods Functional groups, determination halogenation methods Functional groups, determination hydrogenation methods Functional groups, determination kinetic method Functional groups, determination spectrophotometric methods Functional groups, determination titration method Functional initiator method Functional markers method Functional methodology: general methods Functional relationship method Functional terminator method Functionalization methods advantages Functionalization methods aromatic side groups Functionalization methods avoidance Functionalization methods coordination sites Functionalization methods functional groups formed Functionalization methods lithiation reactions Functionalization methods other reactions Functionalization methods protection-deprotection approaches Functionalization methods reactions Functionalization methods soft functionality Functionalization methods sulfonation Functionalization methods surface reactions Functionalization methods unreactive poly General functions Newton-Raphson methods General functions Simplex method General functions steepest descent method Green function method Green function methods time-ordered Green function power methods Green-function cellular method Green’s function method Hartree-Fock method single determinant wave function Homogeneous Function Method Homogenous solution methods, functional Hybrid Density Functional-Wavefunction Methods Hybrid functional method Hylleraas function methods Infrared Spectroscopy An Instrumental Method for Detecting Functional Groups Input-function method Korringa-Kohn-Rostoker Green-function method Local-density functional method Lyapunov function method MWCNTs functionalization method Mathematical methods approximating functions Mathematical methods functionals Mathematical methods functions Membrane components, methods function Memory function Lanczos method Memory function methods Memory function moment method Memory function recursion method Method Characteristic Parameters of a Linear Calibration Function Method approximate density functional theory Method functional Method of Lyapunovs Function Method test function Methods for Introducing the Carboxy Functional Group Methods for Introduction of Fluorine-Functionality into Molecules Methods of Analysis for Functional Foods and Nutraceuticals Methods, Pulse Sequences, and the Point Spread Function Micro-Probability Density Function Methods Modified coupled pair functional method Molecular density functional methods Molecular function conjugate gradient methods Molecular function iterative methods Molecular modelling solid-state density functional methods Monte Carlo method time correlation function Monte Carlo methods density functional theory Multi-determinant wave functions electron correlation methods Multireference wave functions, CASPT2 method Multiscale reference function method Nano-emulsion formation by low energy methods and functional properties New Methods for Functional Group Conversion Nonequilibrium Green function method Numerical methods approximation function Numerical methods basis function Objective Function Using a Valuation Method Objective function methods, optimization Other methods for functionalization of remote sites Pair correlation function method Pair distribution function methods Parabolic Function Method Partition function methods Partition function, path integral method Penalty function methods Penalty function methods algorithm Penalty function methods multipliers) Penalty-Barrier Function Methods Performance and Properties of Density Functional Methods Probability Generating Functions in a Transformation Method Probability density function (PDF method Probability density function method Protein function evolution combinatorial methods Pulse function stimulus- response method Purification-functionalization processing method Quantum Monte Carlo method localization function Quantum Monte Carlo method trial functions Quantum density functional methods Quantum mechanics wave-function-based methods Radial Distribution Function Method Radial distribution function simulation methods Random Brown function method Relativistic methods within density functional theory Results from 2D Autocovariance Function Method Rietveld method minimized function Scoring Functions - Methods to Estimate Ligand-Receptor Binding Self-consistent charge density functional tight-binding method Self-consistent field method Slater determinant orbital function Self-consistent field method density functional theory hybrid Series Solution Methods and Special Functions Shielding density functional methods Single-reference methods time-dependent density functional Solid-state density functional methods Spin density functional methods Step function stimulus- response method Step-function method Structural function method Structure function method Summary of Methods Used to Synthesize a Particular Functional Group Surface functional groups Boehm method Surface functionalities, control methods Symmetry energy Green function method Synthetic Methods Silicon-Containing Polymers, Functionalized Polyolefins, and Telechelics Target Function Method Tether-directed functionalization methods The Block-Localized Wave Function and Related Methods The Coupled Pair Functional Method The Density Functional Method The Development of Modern Methods to Calculate Reduced Isotopic Partition Function Ratios The Green Function Method The Lyapunov function method The Preference Functions Method Tight-binding method basis functions Time-dependent density functional theory TDDFT) method Transfer Function Method (2-microphone) Transfer function methods Transference function method Trial variation function method) Two Methods of Preparing Thermosetting Hydroxyl Functional Acrylics UNIFAC method functional group activity coefficient Value function methods Variable target function method Virtual screening methods Scoring functions Voltage divider transfer function method Wave Function Electronic Structure Methods Wave function method Wave functions, molecular, correlated methods Wave-function based methods Wave-function based methods Hartree-Fock Wave-function based methods configuration interactions Wave-function based methods coupled cluster Wave-function based methods multireference