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Tetrahedral methane without 2s → 2p promotion and hybridization: Direct calculation of the effects of promotion and hybridization in CH4, NH3, H2O, and H2S

https://doi.org/10.1063/1.1680438
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Merged Gaussian lobe basis SCFMO calculations
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Localized molecular orbitals and bonding in inorganic compounds
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Molecular geometry: Bonded versus nonbonded interactions
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THE NATURE OF THE CHEMICAL BOND. APPLICATION OF RESULTS OBTAINED FROM THE QUANTUM MECHANICS AND FROM A THEORY OF PARAMAGNETIC SUSCEPTIBILITY TO THE STRUCTURE OF MOLECULES
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Inorganic stereochemistry
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Molecular force fields. I. The structure of the water molecule
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Optimized Gaussian Basis SCF Wavefunctions for First-Row Atoms
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Localized Orbitals for Polyatomic Molecules. I. The Transferability of the C–H Bond in Saturated Molecules
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Near Hartree—Fock Calculations of the Force Constants and Dipole Moment Derivatives in Methane
inferredcites →https://doi.org/10.1063/1.1696784openalex-snapshot
One-Center Expansion Wavefunctions for CH3−, CH4, and CH5+
inferredcites →https://doi.org/10.1063/1.1701520openalex-snapshot
Localized Atomic and Molecular Orbitals. II
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Gaussian Basis SCF Calculations for OH−, H2O, NH3, and CH4
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Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and Ethylene
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On the Effects of Intramolecular van der Waals Forces
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Gaussian Expansion of Hydrogen-Atom Wavefunctions
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Origin of Rotational Barriers. I. Many-Electron Molecular Orbital Wavefunctions for Ethane, Methyl Alcohol, and Hydrogen Peroxide
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Heats of Reaction from Hartree—Fock Energies of Closed-Shell Molecules
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Bakerian Lecture: Stereochemical types and valency groups
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Accurate Analytical Self-Consistent Field Functions for Atoms. II. Lowest Configurations of the Neutral First Row Atoms
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Directed Valence in Polyatomic Molecules
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Localized Atomic and Molecular Orbitals

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Natural Bond Orbital Analysis Of Atomic Orbital Hybridization During Reaction C + 4h → Ch4
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Natural Bond Orbital Analysis Of Atomic Orbital Hybridization During Reaction C + 4h → Ch4
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Geometrically active atomic states and the formation of molecules in their normal shapes
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Intrinsische Bindungsstärken von C-C-, Si-Si- und C-Si-Mehrfachbindungen
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Die chemische Bindung bei den höheren Hauptgruppenelementen
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Chemical Bonding in Higher Main Group Elements
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ChemInform Abstract: TETRAHEDRAL METHANE WITHOUT 2S‐2P PROMOTION AND HYBRIDIZATION, DIRECT CALCULATION OF THE EFFECTS OF PROMOTION AND HYBRIDIZATION IN CH4, NH3, H2O AND H2S
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Gillespie‐ und Pauling‐Modell — ein Vergleich
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Interpretation of Molecular Behaviour by Localized Molecular Orbitals (LMOs)
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Models and paradoxes in quantum chemistry
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Hexacoordinated structures of elements of the second period
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Search for a density-based alternative quantum mechanics of many-electron systems
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Continuum effects indicated by hard and soft anti-bases (Lewis acids) and bases
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Photo-electron spectra of non-metallic solids and consequences for quantum chemistry
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Is 100% s-character necessary?
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Small scale variational scheme incorporating local orbitals with fully flexible hybridization: A local orbital reconstruction of Walsh's rules
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The mutual influence of ligands in transition metal coordination compounds with multiple metal-ligand bonds
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Predictive Concept for Lone-Pair Distortions − DFT and Vibronic Model Studies of AXn-(n-3) Molecules and Complexes (A = NIII to BiIII; X = F-I to I-I; n = 3−6)
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Bonding analysis using localized relativistic orbitals: Water, the ultrarelativistic case and the heavy homologues H2X (X=Te, Po, eka-Po)
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Self-consistent molecular orbital methods. XVII. Geometries and binding energies of second-row molecules. A comparison of three basis sets
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Analyses of the ‘‘allowed’’ inversion barriers of H2O and NH3: Incompleteness of the Woodward–Hoffmann HOMO–LUMO symmetry ideas due to neglect of 〈φi‖ΔN A‖φi〉 molecular orbital terms
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