SEARCH Articles Figures Tables A Molecular Orbital Model of the Hydrogen Bond A molecular orbital description of the bonding in organometallic complexes A tt Molecular Orbital Analysis of the Diels-Alder Reaction Analysis of the Orbital-Dependent Correlation And the frontier orbital method Angular Orbital Momentum and the Impact Parameters Appendix C Tracking the continuity of molecular orbitals along a nuclear path Assessing the contribution of d orbitals Astronomical factors in orbit of the Earth Atomic Orbitals A Quantum Mechanical Description of Electrons Around the Nucleus Atomic orbitals, electronic configurations and the Periodic Table Beyond the Molecular Orbital Approach Beyond the Orbital Approximation Bloch Theorem and the Crystal Orbitals Bonding in H2 The Molecular Orbital Model Calculation of the photoelectron orbitals Centring of the atomic orbital Coefficients of the atomic orbitals Combining the Localized Electron and Molecular Orbital Models Comparison of the Resonance and Molecular-Orbital Methods Computational technique atomic orbitals as building blocks of the molecular wave function Crystal field splitting patterns of the 4f orbitals Crystal orbital overlap population the formation of bonds Dienes and the Allyl System 2p Orbitals in Conjugation Electron Configurations of the Lanthanides and f Orbitals Equilibrium-orbit Models the Model of Barth Equivalence of the molecular orbital and valence bond models Evaluation of the nuclear derivative coupling matrix elements with canonical molecular orbitals Explicit construction of the energy density functional within an orbit Filled orbital of the Filling the 2p Orbitals Filling the 3s, 3p, and 4s Orbitals Fragment orbitals by the valence-bond method Frontier Orbital Interactions in the Transition States of One-Step -Cycloadditions Frontier Orbital Interactions in the Transition States of One-Step 1,3-Dipolar Cycloadditions Sustmann Classification Group Product Functions and the Basis Orbitals Heavy particle transfer and the Langevin orbiting theory Hybrid Orbitals and the Structure of Acetylene Hybrid Orbitals and the Structure of Ethane Hybrid Orbitals and the Structure of Ethylene Hybrid Orbitals and the Structure of Methane Hybrid orbitals the valence bond model Hybridization sp Orbitals and the Structure of Acetylene ISOTOPES, ELECTRON ORBITALS, AND THE PERIODIC TABLE Idiopathic inflammation of the orbit Improving the Atomic Orbital Information on the Graph Orbits Interface with the Orbital Model Linear H3, HF, and the Three-Orbital Problem Linear combinations of the atomic orbitals Localization of molecular orbitals within the RHF method Molecular Orbital Analysis of the Diels-Alder Reaction Molecular Orbital Calculations on the Molecular Orbital Contributions to the Chemical Shift Molecular Orbitals for the Hydrogen Molecule-ion Molecular Orbitals for the Water Molecule Molecular Orbitals of the Allylic System Molecular orbital theory applied to the polyatomic molecules BH Molecular orbitals The Fock and Roothaan equations Molecular orbitals associated with the Molecular orbitals for the Molecular orbitals the hydrogen molecule ion Muffin-Tin Orbitals in the ASA Multi-Electronic Orbitals in the Crystal Field Open Shell Atomic Beam Scattering and the Spin Orbit Dependence of Potential Energy Surfaces Orbit of the Earth Orbital A representation of the space occupied level Orbital Blocks in the Periodic Table Orbital Calculations of the Anomeric Effect Orbital Contributions at the Strong-Field limit Orbital Interaction in the Diels-Alder Reaction Orbital Ordering in the Perovskite Manganates Orbital Quenching and the Spin-Only Formula Orbital Symmetry Basis for the Stereospecificity of Electrocyclic Reactions Orbital Treatment of the Isolated Molecule Method Orbital functional theory of the -matrix Orbital picture of the allyl radical Orbitals and the Non-Interacting Reference System Orbitals and the Periodic Table Orbitals and the Secular Equation Orbitals and the structure Orbitals of the hydrogen atom Orbitals. The LCAO Method Perturbation of the molecular orbitals Quaternion form of the hybrid orbitals and hybridization tetrahedra Relative sizes of hydrogenic orbitals and the probability criterion Response of the Monsoon to Orbital Forcing Scenario 2—There is a Single Unpaired Electron in One of the Orbitals Shape and symmetry of the orbitals Solving for the Molecular Orbitals Some Connections Between the Representation Table and Molecular Orbitals Spin Orbitals and the Pauli Principle Spin and orbital contributions to the magnetic moment Spin-Orbit Coupling - The Free Ion Case Spin-Orbit Coupling in the H Atom Spin-orbit effects and reactivity on the ground state Spin-orbit interaction and the vector Spin-orbit interaction in complexes the double group Splitting of d orbitals in the octahedral crystal field Splitting of the 3d orbital energies Stabilization of the d orbitals Stereoelectronic Effects in Action The Many Doors Opened by Orbital Interactions Symmetry restrictions in the orbital basis Symmetry restrictions in the spin-orbital basis THE SHAPES OF f ORBITALS The 3d bound orbital and two examples of ef continuum wavefunctions The 7r orbitals of The Atomic Orbitals of Hydrogen The Atomic Orbitals of a Hydrogen Atom The Basic Ideas of Molecular Orbital Methods The Bohr Model Atoms with Orbits The Bonding Contributions of d Orbitals The Breathing-Orbital Valence Bond Method The Characteristics of Hydrogen Orbitals The Chemical Bond Energy from Molecular Orbitals The Chemical Bond Formation Energy Based on Rigid Atomic Orbitals The Complete Atomic Orbitals The Conservation of Orbital Symmetry (Woodward-Hoffmann Rules) The CpM Fragment Orbitals The Cyclic Three-Orbital Mixing Problem The Description of Molecules by Sigma and Pi Orbitals The Dirac Equation Without Spin-Orbit Coupling The Direction of Nucleophilic Attack and Orbital Steering The Effect of Orbital Symmetry on ET Dynamics The Exact Muffin-Tin Orbital Method The Free-Electron Molecular Orbital Method The Generalized Orbital Symmetry Rule The Goppert-Mayer-Fermi theory of orbital contraction The Hydrogen Atom and Atomic Orbitals The Hydrogen Molecule Molecular Orbitals The Hydrogen Orbitals The Kohn-Sham Molecular Orbital Model The LCAO-Molecular Orbital Model The LiH molecule approximate molecular orbital calculations The Localized Orbitals of a CH2 Group The Metallic Orbital The Molecular Orbital Account of Polarizability The Molecular Orbital Approach to Colour and Constitution The Molecular Orbital Energy The Molecular Orbital Model of Bonding The Molecular Orbital Picture of Benzene The Molecular Orbital Picture of Cyclobutadiene The Molecular Orbital-Valence Bond Theory of Excited States The Molecular Orbitals of Benzene The Natural Orbitals The Nature of Chemical Bonds Molecular Orbital Theory The Nature of Spin-Orbit Coupling The Non-bonding Molecular Orbital Method The One-electron Bond and Non-paired Spatial Orbital Structures The Orbital Approximation Helium The Orbital Approximation for Lithium The Pair Density. Orbital-dependent Exchange-correlation Functionals The Pariser-Parr-Pople Crystal-Orbital Method The Phase of Orbitals The Phase of an Orbital The Quantistic Approach Molecular Orbital (MO) Theory The Quantum Mechanical Atom Principal Shells, Subshells, and Orbitals The Quantum-Mechanical Model Atoms with Orbitals The Recently Claimed Observation of Atomic Orbitals and The Relationship between Molecular Orbital and Valence Bond Wave Functions The Relative Energies of Atomic Orbitals from Electronegativity The Role of Frontier Orbitals The Role of d Orbitals The Shapes of Atomic Orbitals The Special Crystal Orbital of Glitter The Spin-Orbit Operator The Two-Orbital Mixing Problem The Two-Orbital Problem—Summary The Use (or Not) of d Orbitals by Nonmetals The Use of Self-consistent Field Methods to Obtain Atomic Orbitals The Use of p Orbitals in Pi Bonding The Uses of Frontier Orbitals The Walsh Diagram and Group Orbitals The Wavefunctions of Many-Electron Atoms Can Be Described to a Good Approximation Using Atomic Orbitals The Woodward-Hoffmann rules and molecular orbitals The atomic orbital model The carbon orbitals expanded in GTOs The carbon orbitals expanded in HO functions The carbon orbitals expanded in Laguerre functions The concept of molecular orbitals in other systems The crystal orbital approach The d Orbitals in a Tetrahedral Field The d Orbitals in an Octahedral Field The d and f Orbitals The d orbitals The energies of molecular orbitals in diatomic molecules The frontier orbital description of cycloadditions The g-Hartree theory of orbital collapse The hybridization model and two-center molecular orbitals The independent functions from an orbital product The introduction of quantum mechanics atomic orbitals and orbital energies The localized molecular orbital (LMO) model The mathematical form of hybrid orbitals The mechanism of orbital collapse The molecular orbital Model The molecular-orbital theory The nodeless Gaussian-type orbitals The orbital approximation The p Orbitals The s Orbitals The shapes of d orbitals The shapes of p orbitals The shapes of s orbitals The sp (n 1-3) hybrid orbitals The spin-orbit interaction The tt Molecular Orbitals of Ethylene and 1,3-Butadiene The wave equation and molecular orbitals Three-orbital interactions stereoelectronic reasons for the preferred trajectories of intermolecular attack at a chemical bond Tin Orbitals and the Atomic Sphere Approximation Use and misuse of the hybrid orbital concept Using the Group Orbitals to Construct Organometallic Complexes