화학공학소재연구정보센터
검색결과 : 37건
No. Article
1 Finite Systems under Pressure: Assessing Volume Definition Models from Parallel-Tempering Monte Carlo Simulations
Vitek A, Arismendi-Arrieta DJ, Sarmanova M, Kalus R, Prosmiti R
Journal of Physical Chemistry A, 124(20), 4036, 2020
2 Theoretical Study of Cationic Alkali Dimers Interacting with He: Li2+-He and Na-2(+)-He van der Waals Complexes
Alharzali N, Berriche H, Villarreal P, Prosmiti R
Journal of Physical Chemistry A, 123(36), 7814, 2019
3 Assessing Intermolecular Interactions in Guest-Free Clathrate Hydrate Systems
Leon-Merino I, Rodriguez-Segundo R, Arismendi-Arrieta DJ, Prosmiti R
Journal of Physical Chemistry A, 122(5), 1479, 2018
4 Temperature Dependence of HeBr2 Isomers' Stability through Rovibrational Multiconfiguration Time-Dependent Hartree Calculations
Carrillo-Bohorquez O, Valdes A, Prosmiti R
Journal of Physical Chemistry A, 120(47), 9458, 2016
5 i-TTM Model for Ab Initio-Based Ion-Water Interaction Potentials. 1. Halide-Water Potential Energy Functions
Arismendi-Arrieta DJ, Riera M, Bajaj P, Prosmiti R, Paesani F
Journal of Physical Chemistry B, 120(8), 1822, 2016
6 Quantum Features of Anionic Species He*(-) and He-2*(-) in Small He-N Clusters
Villarreal P, Rodriguez-Cantano R, Gonzalez-Lezana T, Prosmiti R, Delgado-Barrio G, Gianturco FA
Journal of Physical Chemistry A, 119(47), 11574, 2015
7 Vibrational Calculations of Higher-Order Weakly Bound Complexes: The He3,4I2 Cases
Valdes A, Prosmiti R
Journal of Physical Chemistry A, 119(51), 12736, 2015
8 Thermodynamics of Water Dimer Dissociation in the Primary Hydration Shell of the Iodide Ion with Temperature-Dependent Vibrational Predissociation Spectroscopy
Wolke CT, Menges FS, Totsch N, Gorlova O, Fournier JA, Weddle GH, Johnson MA, Heine N, Esser TK, Knorke H, Asmis KR, McCoy AB, Arismendi-Arrieta DJ, Prosmiti R, Paesani F
Journal of Physical Chemistry A, 119(10), 1859, 2015
9 Energetics and Solvation Structure of a Dihalogen Dopant (I-2) in He-4 Clusters
de Tudela RP, Barragan P, Valdes A, Prosmiti R
Journal of Physical Chemistry A, 118(33), 6492, 2014
10 Reply to the "Comment on'An ab initio Study of the E (3)Pi(g) State of the Iodine Molecule'"
Kalemos A, Valdes A, Prosmiti R
Journal of Physical Chemistry A, 117(4), 790, 2013