### keywords

- 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics, 0306 Physical Chemistry (incl. Structural), 0307 Theoretical and Computational Chemistry

- 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics, 0306 Physical Chemistry (incl. Structural), 0307 Theoretical and Computational Chemistry

- 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+ + O-2 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
- Spontaneous emission from C-2(d (3)Pi g) and C-3(A (1)Pi(u)) during laser irradiation of soot particles 2010
- The effect of vibrational motion on the dynamics of shape resonant photoionization of BF3 leading to the E(2)A(1)' state of BF3+ 2010
- MS-CASPT2 analysis of the UV thermochromism of octamethyltrisilane 2006
- Spin-orbit coupling in biradicals. 5. Zero-field splitting in triplet dimethylnitrenium, dimethylphosphenium and dimethylarsenium cations 2005
- Multiconfigurational second-order perturbation calculation of the electronic absorption spectrum of trisilane, Si3H8 2002
- 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
- Some results for the Ballone-Pastore-Galli modification of the Martynov-Sarkisov closure for hard spheres 1997
- LOCAL STRUCTURE AND TRIPLET ENERGY MIGRATION IN PARA-DICHLOROBENZENE-PARA-DIBROMOBENZENE SOLID-SOLUTIONS 1978
- SEMIEMPIRICAL LCAO CALCULATIONS OF ELECTRONIC AND DYNAMICAL PROPERTIES OF ALPHA AND GAMMA NITROGEN CRYSTALS AND NITROGEN AGGREGATES 1974

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