Part II: Impact of ionic liquids as anticorrosives and additives on Ni-Co alloy electrodeposition: Experimental and DFT study

DFT Study on the Chemical Absorption Mechanism of CO2 in Diamino Protic Ionic Liquids

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c08500 ◽

2021 ◽

Vol 125 (5) ◽

pp. 1416-1428

Author(s):

Jing Ma ◽

Yutong Wang ◽

Xueqing Yang ◽

Mingxuan Zhu ◽

Baohe Wang

Keyword(s):

Ionic Liquids ◽

Dft Study ◽

Protic Ionic Liquids ◽

Absorption Mechanism ◽

Chemical Absorption

Effect of the Side-Chain Length and NLO Properties of the N-ethyl-N,N,N-trialkylammonium Ionic Liquids – A DFT Study

10.1016/j.molliq.2021.116251 ◽

2021 ◽

pp. 116251

Author(s):

M.A. Olea-Amezcua ◽

J.E. Castellanos-Águila ◽

H. HernÁndez-Cocoletzi ◽

E. Ferreira ◽

M. Trejo-Durán ◽

...

Keyword(s):

Ionic Liquids ◽

Chain Length ◽

Dft Study ◽

Side Chain ◽

Side Chain Length ◽

Nlo Properties

DFT study of structures and hydrogen bonds of imidazolium based halogen-free boron containing dicationic ionic liquids

10.1016/j.molliq.2018.02.066 ◽

2018 ◽

Vol 256 ◽

pp. 330-343 ◽

Cited By ~ 9

Author(s):

Seyed Morteza Alavi ◽

Saied Yeganegi

Keyword(s):

Ionic Liquids ◽

Hydrogen Bonds ◽

Dft Study ◽

Dicationic Ionic Liquids ◽

Halogen Free

DFT Study on Interaction of Estrone and Imidazolium-Based Hydrophobic Ionic Liquids

Advances in Quantum Communication and Information ◽

10.5772/intechopen.86821 ◽

2020 ◽

Author(s):

Sai Saravanan Ambi Venkataramanan ◽

Ramalingam Anantharaj

Keyword(s):

Ionic Liquids ◽

Dft Study ◽

Hydrophobic Ionic Liquids

Vibrational spectroscopy of imidazolium-based ionic liquids: A combined MD/DFT study

10.1016/j.molliq.2019.111282 ◽

2019 ◽

Vol 292 ◽

pp. 111282 ◽

Cited By ~ 1

Author(s):

Jiannan Liu ◽

Hyunjin Kim ◽

Nilesh R. Dhumal ◽

Hyung J. Kim

Keyword(s):

Ionic Liquids ◽

Vibrational Spectroscopy ◽

The electronic structure of ionic liquids based on the TFSI anion: A gas phase UPS and DFT study

10.1016/j.molliq.2019.111580 ◽

2019 ◽

Vol 294 ◽

pp. 111580 ◽

Cited By ~ 1

Author(s):

Ivar Kuusik ◽

Mati Kook ◽

Rainer Pärna ◽

Antti Kivimäki ◽

Tanel Käämbre ◽

...

Keyword(s):

Electronic Structure ◽

Ionic Liquids ◽

Gas Phase ◽

A DFT study on lignin dissolution in imidazolium-based ionic liquids

RSC Advances ◽

10.1039/c6ra27059j ◽

2017 ◽

Vol 7 (21) ◽

pp. 12670-12681 ◽

Cited By ~ 42

Author(s):

Yaqin Zhang ◽

Hongyan He ◽

Kun Dong ◽

Maohong Fan ◽

Suojiang Zhang

Keyword(s):

Ionic Liquids ◽

Dft Study ◽

Π Stacking

Co-interaction lead to dissolution of lignin in ILs: H-bonds and π–π stacking.

The substituent group activity in the anion of cholinium carboxylate ionic liquids on thermo-physical, chemical reactivity, and biological properties: A DFT study

International Journal of Chemistry and Technology ◽

10.32571/ijct.648409 ◽

2019 ◽

Vol 3 (2) ◽

pp. 151-161 ◽

Cited By ~ 1

Author(s):

Afroza Zannat ◽

Ajoy Kumar ◽

Md. Nuruzzaman Sarker ◽

Sunanda Paul

Keyword(s):

Ionic Liquids ◽

Chemical Reactivity ◽

Biological Properties ◽

Group Activity ◽

Dft Study ◽

Substituent Group ◽

Physical Chemical

Water confined (H2O) n=1–10 amino acid-based ionic liquids – A DFT study on the bonding, energetics and IR spectra

10.1016/j.molliq.2020.112720 ◽

2020 ◽

Vol 304 ◽

pp. 112720

Author(s):

Muraledharan Shyama ◽

Senthilkumar Lakshmipathi

Keyword(s):

Ionic Liquids ◽

Amino Acid ◽

Ir Spectra ◽

Ionic liquids based on 1-ethyl-3-methylimidazolium cation and anions of tetrafluoroborate and bis(trifluoromethylsulfonyl)imide: Structural and thermodynamic properties by DFT study

10.1016/j.molliq.2019.112209 ◽

2020 ◽

Vol 299 ◽

pp. 112209 ◽

Cited By ~ 2

Author(s):

Plassidius J. Chengula ◽

Tatiana Pogrebnaya ◽

Alexander Pogrebnoi

Keyword(s):

Ionic Liquids ◽

Thermodynamic Properties ◽