A new set of potential energy surfaces for HCO: Influence of Renner-Teller coupling on the bound and resonance vibrational states

Calculated vibrational states of ozone up to dissociation

(2016) Steve Ndengué et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum scattering calculations for ro-vibrational de-excitation of CO by hydrogen atoms

(2015) Lei Song et al.   JOURNAL OF CHEMICAL PHYSICS

Resonances of HCO Computed Using an Approach Based on the Multiconfiguration Time-Dependent Hartree Method

(2015) Steve Alexandre Ndengué et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Automated construction of potential energy surfaces

(2015) Moumita Majumder et al.   MOLECULAR PHYSICS

Non-Born–Oppenheimer molecular dynamics of the spin-forbidden reaction O(3P) + CO(X 1Σ+) → CO2(X̃Σg+1)

(2013) Ahren W. Jasper et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: An accurate global potential energy surface for the ground electronic state of ozone

(2013) Richard Dawes et al.   JOURNAL OF CHEMICAL PHYSICS

CO Dimer: New Potential Energy Surface and Rovibrational Calculations

(2013) Richard Dawes et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Three-Dimensional Ab Initio Potential Energy Surface for H–CO(X̃2A′)

(2013) Lei Song et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental and theoretical studies of the electronic transitions of BeC

(2012) Beau J. Barker et al.   JOURNAL OF CHEMICAL PHYSICS

Global ab initio potential energy surfaces for both the ground (X̃1A′) and excited (Ã1A′′) electronic states of HNO and vibrational states of the Renner-Teller Ã1A′′–X̃1A′system

(2011) Anyang Li et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate quantum mechanical study of the Renner-Teller effect in the singlet CH2

(2011) Zhijun Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Highly accurate ozone formation potential and implications for kinetics

(2011) Richard Dawes et al.   JOURNAL OF CHEMICAL PHYSICS

Global potential energy surface, vibrational spectrum, and reaction dynamics of the first excited (Ã A2′) state of HO2

(2010) Anyang Li et al.   JOURNAL OF CHEMICAL PHYSICS

Nitrous oxide dimer: A new potential energy surface and rovibrational spectrum of the nonpolar isomer

(2010) Richard Dawes et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic Nuclear Dynamics after Valence Ionization of H2O†

(2010) Matthis Eroms et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical and Experimental Spectroscopy of the S2 State of CHF and CDF: Dynamically Weighted Multireference Configuration Interaction Calculations for High-Lying Electronic States

(2010) Richard Dawes et al.   Journal of Physical Chemistry Letters

An ab initio global potential-energy surface for NH[sub 2](A[sup 2]A[sup ʹ]) and vibrational spectrum of the Renner–Teller A[sup 2]A[sup ʹ]-X[sup 2]A[sup ʺ] system

(2009) Shulan Zhou et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio study of the Renner–Teller effect in the 2Π electronic state of the OHF− anion

(2008) S. Gómez-Carrasco et al.   CHEMICAL PHYSICS

Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration time-dependent Hartree method

(2008) Loïc Joubert Doriol et al.   JOURNAL OF CHEMICAL PHYSICS

A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures

(2008) David Feller et al.   JOURNAL OF CHEMICAL PHYSICS