publication venue for
- The CECAM electronic structure library and the modular software development paradigm. 153. 2020
- Inertial effects of self-propelled particles: From active Brownian to active Langevin motion. 152:040901-040901. 2020
- RichMol: A general variational approach for rovibrational molecular dynamics in external electric fields. 148:124102-124102. 2018
- A transition-state based rotational sudden (TSRS) approximation for polyatomic reactive scattering. 147. 2017
- Principal component analysis of molecular dynamics: On the use of Cartesian vs. internal coordinates. 141:014111-014111. 2014
- A density functional study of the structure of small OCS@3HeN clusters. 138. 2013
- Infrared spectroscopy of carbonyl sulfide inside a pure 3He droplet. 136. 2012
- Equilibrium geometries of cyclic SiC3 isomers. 114:2993-2995. 2001
- Isotope effect on the translational and rotational motion in liquid water and ammonia. 114:3174-3181. 2001
- Self-diffusion in CD4 and ND3: With notes on the dynamic isotope effect in liquids. 110:3037-3042. 1999
- The effect of site-specific isotopic substitutions on transport coefficients of liquid methanol. 91:2568-2574. 1989
- Rotational effect on SRVL nonradiative transitions: Linewidth and Coriolis coupling. 77:4474-4483. 1982
- Kinematic (mass) effects in reactions of the type H+H L→H H+L. 76:4513-4527. 1982