The energy difference between an uncharged species and its negative ion, referred to as an
electron affinity (EA), is an important property of atoms and molecules. Negative ions, or …

Proudly serving the scientific community for over a century, this 97th edition of the CRC
Handbook of Chemistry and Physics is an update of a classic reference, mirroring the growth …

Understanding the energy it takes to build or break chemical bonds is essential for scientists
and engineers in a wide range of innovative fields, including catalysis, nanomaterials …

Multiply charged anions (MCAs) are common in condensed phases but are challenging to
study in the gas phase. An experimental technique, coupling photoelectron spectroscopy …

Medium basis sets based upon contractions of Gaussian primitives are developed for the
third‐row elements Ga through Kr. The basis functions generalize the 6‐31G and 6‐31G …

A coupled cluster composite approach has been used to accurately determine the
spectroscopic constants, bond dissociation energies, and heats of formation for the X12Π3/2 …

The ability to control ion temperatures is critical for gas phase spectroscopy and has been a
challenge in chemical physics. A low-temperature photoelectron spectroscopy instrument …

The ultraviolet photoelectron spectrum of O2-exhibits 29 resolved vibronic transitions to the
three low-lying electronic states of neutral O2 (X 3Σg-, a 1Δg, b 1Σg+) from the X 2Π J (J= 3/2 …

A new approach for relativistic correlated electron structure calculations is proposed by
which a transformation to a two-spinor basis is carried out after solving the four-component …

We report in this paper an implementation of a 4-component relativistic Hamiltonian based
Equation-of-Motion Coupled-Cluster with singles and doubles (EOM-CCSD) theory for the …