publication venue for
- Incorporating reduced axis system embedding into ab initio tunnelling-rotation Hamiltonians with curvilinear vibrational Møller-Plesset perturbation theory 2024
- Low frequency (<500 cm-1) contribution to greenhouse gas radiative efficiency 2024
- Carbon-13 studies of sulphur-terminated carbon chains: chemical bonding, molecular structures, and formation pathways 2021
- Vibronic mean-field and perturbation theory for Jahn-Teller and pseudo-Jahn-Teller molecules 2021
- A rapid, spatially dispersive frequency comb spectrograph aimed at gas phase chemical reaction kinetics 2020
- Quantum-state-specific reaction rate measurements for the photo-induced reaction Ca+ + O2 CaO+ + O 2019
- Full-valence density matrix renormalisation group calculations on meta-benzyne based on unrestricted natural orbitals. Revisit of seamless continuation from broken-symmetry to symmetry-adapted models for diradicals 2017
- Signatures of transient electron localisation in high-order harmonic generation 2017
- UNO DMRG CASCI calculations of effective exchange integrals for m-phenylene-bis-methylene spin clusters 2017
- Advances in molecular quantum chemistry contained in the Q-Chem 4 program package 2015
- Electric-field-induced inelastic collisions between magnetically trapped hydroxyl radicals 2013
- Kitaev honeycomb and other exotic spin models with polar molecules 2013
- The (A)over-tilde1Au state of acetylene: ungerade vibrational levels in the region 45,800-46,550 cm-1 2012
- Spontaneous emission from C-2(d (3)Pi g) and C-3(A (1)Pi(u)) during laser irradiation of soot particles 2010
- Conical intersections in solution: non-equilibrium versus equilibrium solvation 2006
- Thermodynamic perturbation theory applied to the dipolar heteronuclear dumbbell fluid 1999
- An effective Hamiltonian for an electronically excited solute in a polarizable molecular solvent 1998
- LOCAL STRUCTURE AND TRIPLET ENERGY MIGRATION IN PARA-DICHLOROBENZENE-PARA-DIBROMOBENZENE SOLID-SOLUTIONS 1978
- On the Fokker-Planck equation for the linear chain 1974
- SEMIEMPIRICAL LCAO CALCULATIONS OF ELECTRONIC AND DYNAMICAL PROPERTIES OF ALPHA AND GAMMA NITROGEN CRYSTALS AND NITROGEN AGGREGATES 1974
- Spectral analyses of trans- and cis-DOCO transients via comb spectroscopy 2017