Web of Science (Emerging Sources Citation Index)
Physical chemistry
1. Quantum chemical study of the Jahn – Teller effect on the distortions of XO2 (X = O, S, Se, Te) systems

Ali Esmaeili; Reza Fazaeli; Esmat Mohammadi Nasab

Volume 2, Issue 7 , July 2020, , Pages 739-749

http://dx.doi.org/10.33945/SAMI/ECC.2020.7.1

Abstract
  Preliminary researches provided essential information about the optimized configuration of triatomic XO2 (X = O, S, Se, Te) systems, which were bent in the ground state and linear in their first excited state. The Jahn-Teller effects including the Jahn-Teller (JTE), the Renner-Teller effect (RTE), and ...  Read More

Quantum chemical study of the Jahn – Teller effect on the distortions of XO2 (X = O, S, Se, Te) systems


Physical chemistry
2. Molecular dynamics simulation of natural gas sweetening by monoethanolamine

Nima Novin; Abolghasem Shameli; Ebrahim Balali

Volume 2, Issue 5 , May 2020, , Pages 619-625

http://dx.doi.org/10.33945/SAMI/ECC.2020.5.8

Abstract
  The aim of the study is to investigate sweeting process of sour gas by dynamic simulation of monoethanolamine (MEA) molecule. In the present paper using molecular dynamic simulation, the interaction of sour gas mixture included methane, ethane and H2S with MEA as absorption was also investigated the ...  Read More

Molecular dynamics simulation of natural gas sweetening by monoethanolamine