## What is/are Initio Intermolecular?

Initio Intermolecular - In this work we report an ab initio intermolecular potential energy surface and theoretically spectroscopic studies for N2-OCS complex.^{[1]}Based on QM calculations, an ab-initio intermolecular potential has been generated for the Co(II)–HO interaction using the hydrated ion model that uses a polarisable and flexible solvent description through the MCDHO2 model.

^{[2]}The ab initio intermolecular pair potentials of dimer H2-N2 were calculated from all constructed orientations, using the level of the theory CCSD(T) and basis sets aug-cc-pVmZ (m = 2, 3, 4, 23, 24, 34).

^{[3]}In the present work, the direct simulation Monte Carlo (DSMC) method with ab initio intermolecular potentials is first implemented into the open-source software dsmcFoam+ for the simulation of general rarefied gas flows.

^{[4]}

## Ab Initio Intermolecular

In this work we report an ab initio intermolecular potential energy surface and theoretically spectroscopic studies for N2-OCS complex.^{[1]}The ab initio intermolecular pair potentials of dimer H2-N2 were calculated from all constructed orientations, using the level of the theory CCSD(T) and basis sets aug-cc-pVmZ (m = 2, 3, 4, 23, 24, 34).

^{[2]}In the present work, the direct simulation Monte Carlo (DSMC) method with ab initio intermolecular potentials is first implemented into the open-source software dsmcFoam+ for the simulation of general rarefied gas flows.

^{[3]}

## initio intermolecular potential

In this work we report an ab initio intermolecular potential energy surface and theoretically spectroscopic studies for N2-OCS complex.^{[1]}Based on QM calculations, an ab-initio intermolecular potential has been generated for the Co(II)–HO interaction using the hydrated ion model that uses a polarisable and flexible solvent description through the MCDHO2 model.

^{[2]}In the present work, the direct simulation Monte Carlo (DSMC) method with ab initio intermolecular potentials is first implemented into the open-source software dsmcFoam+ for the simulation of general rarefied gas flows.

^{[3]}