Synthesis, characterization, Electrostatic Molecular Potential, H-bond Energy, spectroscopic properties and phase transitions of NH3(CH2)2NH3SnCl6

2021 ◽  
pp. 130456
Author(s):  
Sahel Karoui ◽  
Slaheddine Kamoun
Keyword(s):  
Phase Transitions ◽  
Bond Energy ◽  
Spectroscopic Properties ◽  
Molecular Potential ◽  
Electrostatic Molecular Potential

Room-temperature NaI/H2O compression icing: solute–solute interactions

2017 ◽  
Vol 19 (39) ◽  
pp. 26645-26650 ◽  
Author(s):  
Qingxin Zeng ◽  
Chuang Yao ◽  
Kai Wang ◽  
Chang Q. Sun ◽  
Bo Zou
Keyword(s):  
Phase Transition ◽  
Phase Transitions ◽  
Bond Energy ◽  
Room Temperature ◽  
Solute Concentration ◽  
Solute Interaction ◽  
Solute Interactions

H–O bond energy governs the PCx for Na/H2O liquid–VI–VII phase transition. Solute concentration affects the path of phase transitions differently with the solute type. Solute–solute interaction lessens the PC2 sensitivity to compression. The PC1 goes along the liquid–VI boundary till the triple phase joint.

Multipole expansions of the electrostatic molecular potential

1974 ◽  
Vol 33 (2) ◽  
pp. 97-103 ◽  
Author(s):  
Rosanna Bonaccorsi ◽  
Renzo Cimiraglia ◽  
Eolo Scrocco ◽  
Jacopo Tomasi
Keyword(s):  
Molecular Potential ◽  
Electrostatic Molecular Potential ◽  
Multipole Expansions

AB-INITIO MODPOT/VRDDO/MERGE CALCULATIONS ON LARGE BIOMEDICAL MOLECULES AND ELECTROSTATIC MOLECULAR POTENTIAL CONTOUR MAPS

1981 ◽  
Vol 367 (1 Quantum Chemi) ◽  
pp. 452-477 ◽  
Author(s):  
Joyce J. Kaufman ◽  
P. C. Hariharan ◽  
Herbert E. Popkie ◽  
Carlo Petrongolo
Keyword(s):  
Ab Initio ◽  
Contour Maps ◽  
Molecular Potential ◽  
Electrostatic Molecular Potential
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