The reaction dynamics of P (4 S)+ O 2 (X 3 Σ g-)→ O (3 P)+ PO (X 2 Π) are thought to be
important in atmospheric and interstellar chemistry. Based on the state-of-the-art ab initio …

A global potential energy surface (PES) for the electronic ground state of PH2 (X2B1) is
reported based on accurate ab initio energy points and analytically modeled using the …

Using the concept of quasi‐molecule (“tile”) and the database of quasi‐molecules
embedded on a parent molecule, it is discussed whether the latter can attain linear form or …

A general program to fit global adiabatic potential energy surfaces of up to tetratomic
molecules to ab initio points and available spectroscopic data for simple diatomics is …

We construct a full-dimensional ab initio neural network potential energy surface (PES) for
the isomerization system of the formic acid dimer (FAD). This is based upon ab initio …

SiC 2 is a fascinating molecule due to its unusual bonding and astrophysical importance. In
this work, we report the first global potential energy surface (PES) for ground-state SiC 2 …

Transport collision integrals of interacting atoms or ions play a crucial role in modeling
transport properties of high-temperature gases and plasmas. Here, we obtained the …

Transport collision integrals of interacting atoms or ions are essential in modeling transport
properties of high-temperature gases and plasmas. Here, we obtained the potential energy …

An adiabatic model potential for the two lowest states of the HO 2+ ion with 3 A′′
symmetry has been constructed by employing the combined hyperbolic inverse power …

A full-dimensional global potential-energy surface (PES) is first reported for ground-state
doublet C3H using the combined-hyperbolic-inverse-power-representation (CHIPR) method …