Molecular Physics Quantitative structure–property relationship analysis of the spectrochemical series by employing electronic descriptors from DFT calculations. By Deivi A. Oliveros R., 3 years ago
Molecular Physics Nonrelativistic energy of tritium-containing hydrogen molecule isotopologues. By Krzysztof Pachucki, 3 years ago
Molecular Physics Boosting the OEP2-sc method with spin-component scaling. By Sylwia Siecińska, 3 years ago
Molecular Physics Quantum chemical study of structure, vibrational spectra and thermodynamic properties of molecular and ionic clusters existing in vapours over strontium dichloride. By Sospeter Imani, 3 years ago
Molecular Physics Quasi-two-dimensional Brownian dynamics simulations of the regime change in the aggregate structures of cubic haematite particles in a rotating magnetic field. By Kazuya Okada, 3 years ago
Molecular Physics Reparametrised Pöschl–Teller oscillator and analytical molar entropy equation for diatomic molecules. By E.S. Eyube, 3 years ago
Molecular Physics Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension?. By Nadia Ben-Cheik Mansour, 3 years ago
Molecular Physics First-principles insight into the structural and optoelectronic properties of Sn- and Pb-based hybrid halide perovskites for photovoltaic applications. By Tridip Chutia, 3 years ago
Molecular Physics Adsorption of H2 and C2H2 onto Rh-decorated InN monolayer and the effect of applied electric field. By Haiming Wang, 3 years ago
Molecular Physics Structural characterisation of hydrolysed Cm(III)-EDTA solution species under alkaline conditions: a TRLFS, vibronic side-band and quantum chemical study. By M. Trumm, 3 years ago