Ab Initio Study of Structural Features and H-Bonding in Alkylammonium-Based Protic Ionic Liquids

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Vol 121 (40) ◽  
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Michael A. Krestyaninov ◽  
Lyubov P. Safonova
Keyword(s):  
Ionic Liquids ◽  
Ab Initio ◽  
Structural Features ◽  
Ab Initio Study ◽  
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Ab Initio Study of Ionic Liquids by KS-DFT/3D-RISM-KH Theory

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Vol 113 (11) ◽  
pp. 3536-3542 ◽  
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Samantha Bruzzone ◽  
Cinzia Chiappe ◽  
Sergey Gusarov ◽  
Andriy Kovalenko
Keyword(s):  
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Ab Initio ◽  
Ab Initio Study

Influence of chain length in protic ionic liquids on physicochemical and structural features of lignins from sugarcane bagasse

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Vol 159 ◽  
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Author(s):  
Thaynara C. Pin ◽  
Lívia B. Brenelli ◽  
Viviane M. Nascimento ◽  
Aline C. Costa ◽  
Yunqiao Pu ◽  
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Ionic Liquids ◽  
Chain Length ◽  
Sugarcane Bagasse ◽  
Structural Features ◽  
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Vol 111 (35) ◽  
pp. 8717-8723 ◽  
Author(s):  
Henrik Markusson ◽  
Jean-Philippe Belières ◽  
Patrik Johansson ◽  
C. Austen Angell ◽  
Per Jacobsson
Keyword(s):  
Ionic Liquids ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Protic Ionic Liquids ◽  
Macroscopic Properties

Alkylimidazolium Protic Ionic Liquids: Structural Features and Physicochemical Properties

ChemPhysChem ◽  
2021 ◽  
Author(s):  
Liudmila E. Shmukler ◽  
Irina V. Fedorova ◽  
Yuliya Fadeeva ◽  
Matvey S. Gruzdev ◽  
Liubov P. Safonova
Keyword(s):  
Ionic Liquids ◽  
Physicochemical Properties ◽  
Structural Features ◽  
Protic Ionic Liquids

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Vol 123 (26) ◽  
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Author(s):  
Andrea Le Donne ◽  
Henry Adenusi ◽  
Francesco Porcelli ◽  
Enrico Bodo
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Structural Features ◽  
Protic Ionic Liquids

Modern ab initio valence bond theory calculations reveal charge shift bonding in protic ionic liquids

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Vol 18 (23) ◽  
pp. 15783-15790 ◽  
Author(s):  
Amol Baliram Patil ◽  
Bhalchandra Mahadeo Bhanage
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Ab Initio ◽  
Valence Bond ◽  
Typical Characteristic ◽  
Protic Ionic Liquids ◽  
Valence Bond Theory ◽  
Bond Theory ◽  
Anion Interaction ◽  
Charge Shift

Modern ab initio valence bond theory investigation of protic ionic liquids reveals that charge shift bonding is a typical characteristic of ionic liquid cation–anion interaction.

scholarly journals Structure and Spectral Studies of N-Ethyl Pyridinium Bromide Ionic Liquids: DFT and ab initio Study

2013 ◽  
Vol 25 (6) ◽  
pp. 3233-3236 ◽  
Author(s):  
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Zhihao Zhuo ◽  
Yi He ◽  
Qian Mo
Keyword(s):  
Ionic Liquids ◽  
Ab Initio ◽  
Spectral Studies ◽  
Ab Initio Study ◽  
Pyridinium Bromide
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