Combined spectroscopic and quantum chemical approach to study the effect of hydrogen bonding interactions in ezetimibe

2019 ◽  
Vol 206 ◽  
pp. 246-253 ◽  
Author(s):  
Preeti Prajapati ◽  
Jaya Pandey ◽  
Poonam Tandon ◽  
Kirti Sinha
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Chemical ◽  
Hydrogen Bonding Interactions ◽  
Chemical Approach ◽  
Quantum Chemical Approach

Studies of molecular structure, hydrogen bonding and chemical activity of a nitrofurantoin-l-proline cocrystal: a combined spectroscopic and quantum chemical approach

RSC Advances ◽  
2016 ◽  
Vol 6 (78) ◽  
pp. 74135-74154 ◽  
Author(s):  
Jaya Pandey ◽  
Preeti Prajapati ◽  
Manishkumar R. Shimpi ◽  
Poonam Tandon ◽  
Sitaram P. Velaga ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Quantum Chemical ◽  
Chemical Activity ◽  
Chemical Approach ◽  
Quantum Chemical Approach

Nitrofurantoin (NTF) as an API and l-proline (LP) as a co-former being used as components to form a model of cocrystal NTF-LP to predict its crystal structure.

Using a quantum-chemical approach for the investigation of corrosion on surfaces of metals and alloys

2011 ◽  
Vol 47 (2) ◽  
pp. 137-149
Author(s):  
V. I. Pokhmurs’kyi ◽  
S. A. Kornii ◽  
V. I. Kopylets’
Keyword(s):  
Quantum Chemical ◽  
Metals And Alloys ◽  
Chemical Approach ◽  
Quantum Chemical Approach
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