Gas separation by ionic liquids: A theoretical study
暂无分享,去创建一个
[1] Xiangping Zhang,et al. Ionic liquids for absorption and separation of gases: An extensive database and a systematic screening method , 2017 .
[2] M. Fan,et al. A DFT study on lignin dissolution in imidazolium-based ionic liquids , 2017 .
[3] Xiangping Zhang,et al. Protic ionic liquid [Bim][NTf2] with strong hydrogen bond donating ability for highly efficient ammonia absorption , 2017 .
[4] Congmin Wang,et al. Highly Efficient Nitric Oxide Capture by Azole-Based Ionic Liquids through Multiple-Site Absorption. , 2016, Angewandte Chemie.
[5] Xiao-min Zhang,et al. Cyano-Containing Protic Ionic Liquids for Highly Selective Absorption of SO2 from CO2: Experimental Study and Theoretical Analysis , 2016 .
[6] Xiangping Zhang,et al. Efficient absorption of ammonia with hydroxyl-functionalized ionic liquids , 2015 .
[7] Qilong Ren,et al. Design and screening of ionic liquids for C2H2/C2H4 separation by COSMO-RS and experiments , 2015 .
[8] Kun Dong,et al. A new class of ion-ion interaction: Z-bond , 2015, Science China Chemistry.
[9] Xiangping Zhang,et al. Toxicity of ionic liquids: database and prediction via quantitative structure-activity relationship method. , 2014, Journal of hazardous materials.
[10] Biaohua Chen,et al. Gas solubility in ionic liquids. , 2014, Chemical reviews.
[11] Xiangping Zhang,et al. Structures and hydrogen bonds of biodegradable naphthenate ionic liquids , 2013 .
[12] S. Grimme,et al. Why the standard B3LYP/6-31G* model chemistry should not be used in DFT calculations of molecular thermochemistry: understanding and correcting the problem. , 2012, The Journal of organic chemistry.
[13] Matthew L. Leininger,et al. Psi4: an open‐source ab initio electronic structure program , 2012 .
[14] Haifeng Dong,et al. Carbon capture with ionic liquids: overview and progress , 2012 .
[15] Kun Dong,et al. Role of Hydrogen Bonds in Ionic-Liquid-Mediated Extraction of Natural Bioactive Homologues , 2012 .
[16] T. Lu,et al. ATOMIC DIPOLE MOMENT CORRECTED HIRSHFELD POPULATION METHOD , 2012 .
[17] Qilong Ren,et al. Differential solubility of ethylene and acetylene in room-temperature ionic liquids: a theoretical study. , 2012, The journal of physical chemistry. B.
[18] Kun Dong,et al. Hydrogen bonds: a structural insight into ionic liquids. , 2012, Chemistry.
[19] Tian Lu,et al. Multiwfn: A multifunctional wavefunction analyzer , 2012, J. Comput. Chem..
[20] D. Macfarlane,et al. Nature of hydrogen bonding in charged hydrogen-bonded complexes and imidazolium-based ionic liquids. , 2011, The journal of physical chemistry. B.
[21] Xiangping Zhang,et al. Multi-scale simulation of the 1,3-butadiene extraction separation process with an ionic liquid additive , 2010 .
[22] Xiangping Zhang,et al. The rise and deformation of a single bubble in ionic liquids , 2010 .
[23] S. Grimme,et al. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. , 2010, The Journal of chemical physics.
[24] Julia Contreras-García,et al. Revealing noncovalent interactions. , 2010, Journal of the American Chemical Society.
[25] P. Peu,et al. The efficiency of biological aerobic treatment of piggery wastewater to control nitrogen, phosphorus, pathogen and gas emissions. , 2008, Water science and technology : a journal of the International Association on Water Pollution Research.
[26] Yuxiang Bu,et al. Investigations of coupling characters in ionic liquids formed between the 1-ethyl-3-methylimidazolium cation and the glycine anion. , 2008, The journal of physical chemistry. B.
[27] Xin Fu,et al. Adsorption and regeneration study of the mesoporous adsorbent SBA-15 adapted to the capture/separation of CO2 and CH4 , 2007 .
[28] Kazuo Kitaura,et al. Pair interaction energy decomposition analysis , 2007, J. Comput. Chem..
[29] Xuezhong He,et al. Physical Properties of Ionic Liquids: Database and Evaluation , 2006 .
[30] Wenbin Dai,et al. Design of task-specific ionic liquids for capturing CO2: A molecular orbital study , 2006 .
[31] J. Leszczynski,et al. Properties of the C−H···H Dihydrogen Bond: An ab Initio and Topological Analysis , 2004 .
[32] Hansong Cheng,et al. A critical assessment on two predictive models of binary vapor–liquid equilibrium , 2004 .
[33] C. Lagrost,et al. Specific effects of room temperature ionic liquids on cleavage reactivity: Example of the carbon-halogen bond breaking in aromatic radical anions , 2004 .
[34] L. Pacios. Topological Descriptors of the Electron Density and the Electron Localization Function in Hydrogen Bond Dimers at Short Intermonomer Distances , 2004 .
[35] Robin D. Rogers,et al. Ionic Liquids--Solvents of the Future? , 2003, Science.
[36] J. Brennecke,et al. Ionic liquids: Innovative fluids for chemical processing , 2001 .
[37] Paul L. A. Popelier,et al. Atoms in molecules , 2000 .
[38] E. Oldfield,et al. The chemical nature of hydrogen bonding in proteins via NMR: J-couplings, chemical shifts, and AIM theory , 2000 .
[39] J. Elguero,et al. Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors , 2000 .
[40] Samantha Jenkins,et al. The chemical character of the intermolecular bonds of seven phases of ice as revealed by ab initio calculation of electron densities , 2000 .
[41] Dan Hancu,et al. Green processing using ionic liquids and CO2 , 1999, Nature.
[42] K Schulten,et al. VMD: visual molecular dynamics. , 1996, Journal of molecular graphics.
[43] Uwe Koch,et al. CHARACTERIZATION OF C-H-O HYDROGEN-BONDS ON THE BASIS OF THE CHARGE-DENSITY , 1995 .
[44] Robert Moszynski,et al. Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes , 1994 .
[45] F. L. Hirshfeld. Bonded-atom fragments for describing molecular charge densities , 1977 .
[46] K. Morokuma,et al. The origin of hydrogen bonding. An energy decomposition study , 1977 .
[47] J. Pople,et al. Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules , 1971 .
[48] S. F. Boys,et al. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors , 1970 .