Add to ORKGThe geometric structure and properties of medium sized protonated ArnH clusters n 2 35 are investigated with a DIM model with ab initio input data generated by means of multi reference CI computations. For the electronic ground state, the global minimum as well as secondary minima are found and analyzed. Low lying excited states are also calculated. They are all globally repulsiv
The electronic structure of positively charged sodium cluster with 59 atoms and negatively charged s...
The computational physics methods of various processes have become very popular during the last seve...
Waals clusters. Internuclear distances and binding energies of LiHe, LiAr and NaAr obtained by all-e...
Abstract. A diatomics in molecules DIM model with ab initio input data, which in part I successf...
ArnHCl+ van-der-Waals clusters for n = 1–13 are investigated with the “minimal diatomics-in-molecule...
The electronic and geometric structure, stability and molecular properties of the cationic van der ...
A minimum basis diatomics in molecules DIM model previously developed for singly ionized argon clu...
The ab initio and dispersion-corrected density functional theory (DFT) calculations of the van der W...
The far-infrared vibrational spectra for charged vanadium clusters as well as charged and neutral ni...
The process of protonation in small rare-gas clusters and the study of the most stable structures wi...
10 pags., 3 figs., 5 tabs.Energetics and dynamics of van der Waals (vdW) I2⋯He n clusters are stud...
A theoretical study on the molecular structure of CnH− clusters, where 1 ⩽ n ⩽ 6, and CnHx+ clusters...
The far-infrared vibrational spectra for charged vanadium clusters with sizes of 3–15 atoms have bee...
International audienceFor small size, the cluster X n with X= Hg, Cd or Zn displays a van der Waals ...
International audienceWe present a theoretical model to study the dynamics of metallic clusters embe...
The electronic structure of positively charged sodium cluster with 59 atoms and negatively charged s...
The computational physics methods of various processes have become very popular during the last seve...
Waals clusters. Internuclear distances and binding energies of LiHe, LiAr and NaAr obtained by all-e...
Abstract. A diatomics in molecules DIM model with ab initio input data, which in part I successf...
ArnHCl+ van-der-Waals clusters for n = 1–13 are investigated with the “minimal diatomics-in-molecule...
The electronic and geometric structure, stability and molecular properties of the cationic van der ...
A minimum basis diatomics in molecules DIM model previously developed for singly ionized argon clu...
The ab initio and dispersion-corrected density functional theory (DFT) calculations of the van der W...
The far-infrared vibrational spectra for charged vanadium clusters as well as charged and neutral ni...
The process of protonation in small rare-gas clusters and the study of the most stable structures wi...
10 pags., 3 figs., 5 tabs.Energetics and dynamics of van der Waals (vdW) I2⋯He n clusters are stud...
A theoretical study on the molecular structure of CnH− clusters, where 1 ⩽ n ⩽ 6, and CnHx+ clusters...
The far-infrared vibrational spectra for charged vanadium clusters with sizes of 3–15 atoms have bee...
International audienceFor small size, the cluster X n with X= Hg, Cd or Zn displays a van der Waals ...
International audienceWe present a theoretical model to study the dynamics of metallic clusters embe...
The electronic structure of positively charged sodium cluster with 59 atoms and negatively charged s...
The computational physics methods of various processes have become very popular during the last seve...
Waals clusters. Internuclear distances and binding energies of LiHe, LiAr and NaAr obtained by all-e...