A Hartree—Fock study of the methyl anion and its inversion potential surface: Use of an augmented basis set for this species

No abstract is available for this paper.

• Publication year

  1973

• Venue

  Chemical Physics Letters

• Publication date

  1973-08-15

• Fields of study

  Chemistry

• Identifiers
  DOI 10.1016/0009-2614(73)80134-4
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• Study of the Structure of Molecular Complexes. I. Energy Surface of a Water Molecule in the Field of a Lithium Positive Ion

  1972cited by this paper
• Accurate SCF Calculation for Ammonia and Its Inversion Motion

  1971cited by this paper
• A Hartree-Fock SCF calculation of the activation energies for two SN2 reactions

  1971cited by this paper
• On the use of symmetry in SCF calculations

  1970cited by this paper
• Electronic Structure and Inversion Barrier of Ammonia

  1970cited by this paper
• Potential‐Energy Surfaces of CH3+ and CH3−

  1969cited by this paper

• The tunneling splittings of the ground state and some excited vibrational states for the inversion motion in H3C− anion and H3Si radical

  2024cites this paper
• Influence of the complete basis set approximation, tight weighted‐core, and diffuse functions on the DLPNO‐CCSD(T1) atomization energies of neutral H,C,O‐compounds

  2022cites this paper
• A remarkable case of basis set dependence: the false convergence patterns of the methyl anion*

  2019cites this paper
• Photoelectron Spectroscopy of the Methide Anion: Electron Affinities of (•)CH3 and (•)CD3 and Inversion Splittings of CH3(-) and CD3(-).

  2015cites this paper
• Adsorption Behaviors and Mechanisms of Methyl Orange on Heat-Treated Palygorskite Clays

  2012cites this paper
• BSSE effects on the static dipole polarizability and first dipole hyperpolarizability of diclofenac sodium

  2008cites this paper
• A Theoretical Study of the Interaction Between Cytosine and BX3 (X = F, Cl) Systems

  2007cites this paper
• Ab initio calculations of nonlinear optical rotation by several small chiral molecules and by uridine stereoisomers.

  2006cites this paper
• Hidden-crossing mechanism of rotational excitation of H2O by electric pulse

  2004cites this paper
• Calculations of PAH anions: When are diffuse functions necessary?

  2004cites this paper
• An effective scheme for selecting basis sets for ab initio calculations

  2000cites this paper
• A comparison of high-quality ab initio basis sets: the inversion barrier in ammonia

  1996cites this paper
• PHOTODISSOCIATION OF SO3 AT 193 NM INVESTIGATED BY PHOTOFRAGMENT TRANSLATIONAL SPECTROSCOPY

  1993cites this paper
• A successful ab initio study of the adiabatic electron affinity of the methyl radical

  1992cites this paper
• Inversion-vibration energies of CH3− and adiabatic electron affinity of CH3

  1991cites this paper
• Characterisation of monomeric methylsodium and methylpotassium: infrared spectra of the matrix-isolated molecules

  1990cites this paper
• Nitrogen inversion barriers in three‐membered rings. An ab initio molecular orbital study

  1989cites this paper
• A quantitative analysis of the factors controlling the inversion barriers in AH3 molecules

  1985cites this paper
• Systematic study of molecular anions within the self‐consistent‐field approximation: OH−, CN−, C2H−, NH−2, and CH−3

  1985cites this paper
• Ab initio calculations on the structure of the cyclopropenyl anion

  1984cites this paper
• CHAPTER VI – MOLECULES WITH TRIGONAL SYMMETRY

  1981cites this paper
• Theoretical study of substituent effects on the acidity of the methyl group: Structure of anions CH2X−

  1980cites this paper
• Barriers to Rotation and Inversion

  1977cites this paper
• On the inversion barriers of pyramidal carbanions

  1977cites this paper
• Nonempirical calculations of the electronic structure of H2O, H3O+, OH−, LiOH, and (LiOH2)+

  1974cites this paper