scholarly journals Intermolecular Interaction Studies in Binary Mixture of Methyl formate with Methanol at Various Temperatures

2014 ◽  
Vol 26 (1) ◽  
pp. 137-141
Author(s):  
S. Elangovan ◽  
S. Mullainathan
Keyword(s):  
Binary Mixture ◽  
Intermolecular Interaction ◽  
Methyl Formate ◽  
Interaction Studies

Intermolecular interaction studies in ammonium squarate: crystal structure and vibrational spectra

2005 ◽  
Vol 753 (1-3) ◽  
pp. 147-153 ◽  
Author(s):  
Stéfanos L. Georgopoulos ◽  
Renata Diniz ◽  
Bernardo L. Rodrigues ◽  
Maria I. Yoshida ◽  
Luiz Fernando C. de Oliveira
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interaction ◽  
Vibrational Spectra ◽  
Interaction Studies

On the systematic optimization of new basis sets of Gaussian-type functions for calculations on ozone

2005 ◽  
Vol 1 (2) ◽  
pp. 53-57 ◽  
Author(s):  
Constantine Makris ◽  
George Maroulis
Keyword(s):  
Intermolecular Interaction ◽  
Computational Approach ◽  
Electric Property ◽  
Basis Sets ◽  
Ozone Molecule ◽  
Gaussian Type ◽  
Interaction Studies ◽  
Systematic Optimization

We report the design of new Gaussian-type basis sets for ozone. Our computational approach to the optimization of new basis sets takes into account the non-equivalence of the atomic centers of the molecule. We have employed substrates of various sizes. We show that the choice of d-GTF exponents is a non-trivial matter. The designed basis sets should be useful in electric property and intermolecular interaction studies involving the ozone molecule.

Intermolecular Interaction Studies of Brompheniramine with 1-Propanol at 303 K, 308 K and 313 K

2020 ◽  
Vol 3 (4) ◽  
pp. 1101-1107
Author(s):  
Elangovan Sampandam ◽  
Tilahun Diriba Garbi ◽  
Yilak Alemu Abbo
Keyword(s):  
Intermolecular Interaction ◽  
Interaction Studies

Molecular interaction studies of binary mixture formed by 2-methoxyethanol and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide-based ionic liquid

2018 ◽  
Vol 57 (4) ◽  
pp. 547-564
Author(s):  
Sreenivasa Rao A. ◽  
Srinivasa Reddy M. ◽  
Pushpa Raj G. ◽  
Sreenivasa Rao M. ◽  
Raju K.Thomas S S ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Binary Mixture ◽  
Molecular Interaction ◽  
Interaction Studies
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