SEARCH Articles Figures Tables Amide functional group atomic orbital structure Angular functions of the hydrogen atom Atom functional group Atom transfer radical polymerization functional group tolerance Atom-Centered Basis Function Approach Atom-centered multipolar functions Atom-centred functions Atomic Many-Electron Wave Function and -Coupling Atomic basis function Atomic coordinates align function Atomic coordinates center function Atomic coordinates difference function Atomic coordinates functions Atomic coordinates subset function Atomic distribution functions Atomic force microscopy work-function difference Atomic orbital basis function Atomic orbital basis function derivatives Atomic orbital basis function incomplete Atomic orbitals functions Atomic orbitals radial probability function Atomic orbitals wave functions Atomic pair distribution function Atomic reaction systems partition function Atomic scattering function Atomic spectra, function Atomic state function Atomic state wave function Atomic valence function Atomic wave functions Atomic wave functions and Atomic weight functional groups Atoms Bearing Certain Functional Groups Atoms density functional method Atoms time-dependent wave functions Basis function atom-centred functions Basis function for atoms Between Metal Atoms and Functional Groups at Polymer Surfaces Carbazoles nitrogen atoms functionalization Computational technique atomic orbitals as building blocks of the molecular wave function Density functional perturbation theory atomic charge Density functional theory atomic calculations Difference function, atomic pair correlation Electronic wave function many-electron atoms Energy as a function of internuclear distance for nonbonded atoms Ferrocene-functionalized polymer atom transfer radical Free-atom wave function Fukui Functions and Atomic Charges Functional group electronegative atoms Functionalization by O-Atom Insertion Functions Using Three-Dimensional Atomic Coordinates Gauge-including atomic orbital density functional theory, electron Ground-State Wigner Function for the D-dimensional Hydrogen Atom Hartree-Fock atomic wave function Helium atom Hylleraas function Helium atom functions Hydrogen atom embedding function Hydrogen atom functions Hydrogen atom momentum wave functions Hydrogen atom radial distribution functions Hydrogen atom radial functions Hydrogen atom time-dependent wave functions Hydrogen atom wave functions Hydrogen atom with Gaussian functions Hydrogen-atom wave functions nodes Hydrogen-atom wave functions radial factors Hydrogen-atom wave functions table Hydrogen-like atom radial distribution function Hydrogen-like atom radial functions Hydrogen-like atom wave functions Hydrogenlike atom wave functions Local-scaling density functional theory atoms Many-electron atoms wave function Many-electron atoms, radial wave functions Many-electron wave functions atomic orbitals approximation Modified hydrogen atom wave functions Molecular orbitals from atomic orbital wave functions Molecular structure programs atom function Non-relativistic atomic Hamiltonian and wave function OPTIMAL WAVE FUNCTION FOR A HYDROGEN-LIKE ATOM Oxidation of Non-functional Carbon Atoms Pair Distribution Function Cases with a Single Atomic Species Partition Functions of Atoms and Molecules Photoelectron spectrum from atomic wave function Plane Waves and Atomic-like Basis Sets. Slater-type Functions Potassium atom, electron localization function Potential functions extended atoms Quantum numbers and atomic wave functions Radial distribution function argon atom Radial distribution function atom-specific Radial distribution functions hydrogen atomic orbitals Radial functions and total wavefunctions of the hydrogen atom Siloxane Oligomers with Functional Groups Directly Bonded to the Terminal Silicon Atoms (Si—X) Slater-type atomic functions Spherical harmonic functions hydrogen atom orbitals The Bound-State Hydrogen-Atom Wave Functions The Functional Atomic Chemical Hardness VB Wave Functions with Localized Atomic Orbitals Vibrational-rotational partition functions atom + diatom Wave Functions for Atoms Wave function analysis natural atomic orbitals Wave function for hydrogen-like atoms Wave function for the hydrogen atom Wave function multielectron atom Wave functions for the helium atom Wave functions, atomic vibrational