Millimeter-wave measurements and ab initio calculations of the NH3-CO complexSurin, L. A.,
Schlemmer, S.,
Dolgov, A. A.,
Tarabukin, I. V.,
Panfilov, V. A.,
Kalugina, Yulia N.,
Faure, A.,
van der Avoird, A.,
Potapov, A. Millimeter-wave measurements and
ab initio calculations of the NH3-CO complex
Accurate first-principles spectra predictions for ethylene from full 12D ab initio surfacesAccurate first-principles spectra predictions for ethylene from full 12D
ab initio surfaces
Ab-initio investigations of LuLiF4 compound under pressureWe have performed
ab-initio calculations for the structural and mechanical properties of sheelite
AB-INITIO РАСЧЕТ ФОНОННОГО СПЕКТРА И ТЕРМОДИНАМИЧЕСКИХ ХАРАКТЕРИСТИК MgB2В работе проведен
ab-initio расчет (из первых принципов) динамики кристаллической решетки
Short-range structural transformations in water at high pressures numerical results with the Amoeba and TIP5P potentials, our results of
ab initio molecular dynamics
Short-range structural transformations in water at high pressures numerical results with the Amoeba and TIP5P potentials, our results of
ab initio molecular dynamics