-
1
-
-
0017694154
-
A history of flue gas desulfurization systems since 1850
-
Marten, J. C. A history of flue gas desulfurization systems since 1850. J. Air Pollut. Control Assoc. 1977, 27, 948-961.
-
(1977)
J. Air Pollut. Control Assoc.
, vol.27
, pp. 948-961
-
-
Marten, J.C.1
-
2
-
-
0037108565
-
2 capture technology for power plant greenhouse gas control
-
2 capture technology for power plant greenhouse gas control. Environ. Sci. Technol. 2002, 36, 4467-4475.
-
(2002)
Environ. Sci. Technol.
, vol.36
, pp. 4467-4475
-
-
Rao, A.B.1
Rubin, E.S.2
-
3
-
-
84898722359
-
2 capture solvents
-
2 capture solvents. Energy Procedia 2013, 37, 314-324.
-
(2013)
Energy Procedia
, vol.37
, pp. 314-324
-
-
Just, P.-E.1
-
4
-
-
84893950118
-
Analysis on the main problems of industrial application of the regenerated amine desulphurization technology
-
Chemical, Material and Metallurgical Engineering III
-
Zhou, D.; Wu, Y.; Guo, J.; Lu, F. Analysis on the main problems of industrial application of the regenerated amine desulphurization technology. Adv. Mater. Res. 2014, 881-883, 42-47 (Chemical, Material and Metallurgical Engineering III).
-
(2014)
Adv. Mater. Res.
, vol.881-883
, pp. 42-47
-
-
Zhou, D.1
Wu, Y.2
Guo, J.3
Lu, F.4
-
5
-
-
84921056647
-
Sour-to-acid concept for sour gas fields
-
Gierman, M.; Micone, P.; Lebel, M.; Leveille, V. Sour-to-acid concept for sour gas fields. Sulphur 2014, 352, 62-65.
-
(2014)
Sulphur
, vol.352
, pp. 62-65
-
-
Gierman, M.1
Micone, P.2
Lebel, M.3
Leveille, V.4
-
6
-
-
0023292043
-
Kinetics of absorption of sulfur dioxide in dimethylaniline solution
-
Basu, R. K.; Dutta, B. K. Kinetics of absorption of sulfur dioxide in dimethylaniline solution. Can. J. Chem. Eng. 1987, 65, 27-35.
-
(1987)
Can. J. Chem. Eng.
, vol.65
, pp. 27-35
-
-
Basu, R.K.1
Dutta, B.K.2
-
7
-
-
0030174999
-
Absorption of sulfur dioxide in aqueous dispersions of dimethyl aniline
-
Bhattacharya, S.; Dutta, B. K.; Shyamal, M.; Basu, R. K. Absorption of sulfur dioxide in aqueous dispersions of dimethyl aniline. Can. J. Chem. Eng. 1996, 74, 339-346.
-
(1996)
Can. J. Chem. Eng.
, vol.74
, pp. 339-346
-
-
Bhattacharya, S.1
Dutta, B.K.2
Shyamal, M.3
Basu, R.K.4
-
8
-
-
0018916120
-
2 recovery by a sodium citrate solution scrubbing
-
2 recovery by a sodium citrate solution scrubbing. Chem. Eng. Sci. 1980, 35, 162-169.
-
(1980)
Chem. Eng. Sci.
, vol.35
, pp. 162-169
-
-
Erga, O.1
-
9
-
-
18844393707
-
Sulphur dioxide absorption in air-lift-tube absorbers by sodium citrate buffer solution
-
Bekassy-Molnar, E.; Marki, E.; Majeed, J. G. Sulphur dioxide absorption in air-lift-tube absorbers by sodium citrate buffer solution. Chem. Eng. Process. 2005, 44, 1039-1046.
-
(2005)
Chem. Eng. Process.
, vol.44
, pp. 1039-1046
-
-
Bekassy-Molnar, E.1
Marki, E.2
Majeed, J.G.3
-
11
-
-
64749095083
-
2 separations in imidazoliumbased room-temperature ionic liquids
-
2 separations in imidazoliumbased room-temperature ionic liquids. Ind. Eng. Chem. Res. 2009, 48, 2739-2751.
-
(2009)
Ind. Eng. Chem. Res.
, vol.48
, pp. 2739-2751
-
-
Bara, J.E.1
Carlisle, T.K.2
Gabriel, C.J.3
Camper, D.4
Finotello, A.5
Gin, D.L.6
Noble, R.D.7
-
14
-
-
20444441200
-
Enhancement of oxygen and methane solubility in 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide using carbon dioxide
-
Hert, D. G.; Anderson, J. L.; Aki, S. N. V. K.; Brennecke, J. F. Enhancement of oxygen and methane solubility in 1-hexyl-3- methylimidazolium bis(trifluoromethylsulfonyl) imide using carbon dioxide. Chem. Commun. 2005, 2603-2605.
-
(2005)
Chem. Commun.
, pp. 2603-2605
-
-
Hert, D.G.1
Anderson, J.L.2
Aki, S.N.V.K.3
Brennecke, J.F.4
-
16
-
-
37349106034
-
Tuning ionic liquids for high gas solubility and reversible gas sorption
-
Huang, J.; Riisager, A.; Berg, R. W.; Fehrmann, R. Tuning ionic liquids for high gas solubility and reversible gas sorption. J. Mol. Catal. A: Chem. 2008, 279, 170-176.
-
(2008)
J. Mol. Catal. A: Chem.
, vol.279
, pp. 170-176
-
-
Huang, J.1
Riisager, A.2
Berg, R.W.3
Fehrmann, R.4
-
19
-
-
84919951331
-
2 absorbents
-
2 absorbents. Energy Environ. Sci. 2011, 4, 1802-1806.
-
(2011)
Energy Environ. Sci.
, vol.4
, pp. 1802-1806
-
-
Hong, S.Y.1
Im, J.2
Palgunadi, J.3
Lee, S.D.4
Lee, J.S.5
Kim, H.S.6
Cheong, M.7
Jung, K.-D.8
-
20
-
-
77649175955
-
2 and the mechanism of the absorption
-
2 and the mechanism of the absorption. J. Phys. Chem. B 2010, 114, 2175-2179.
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 2175-2179
-
-
Ren, S.1
Hou, Y.2
Wu, W.3
Liu, Q.4
Xiao, Y.5
Chen, X.6
-
21
-
-
67650945509
-
2 through supported ionic liquid membranes (SILMs)
-
2 through supported ionic liquid membranes (SILMs). Desalination 2009, 245, 485-493.
-
(2009)
Desalination
, vol.245
, pp. 485-493
-
-
Luis, P.1
Neves, L.A.2
Afonso, C.A.M.3
Coelhoso, I.M.4
Crespo, J.G.5
Garea, A.6
Irabien, A.7
-
22
-
-
34249792125
-
2 gas separation using supported ionic liquid membranes
-
2 gas separation using supported ionic liquid membranes. J. Phys. Chem. B 2007, 111, 5058-5061.
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 5058-5061
-
-
Jiang, Y.-Y.1
Zhou, Z.2
Jiao, Z.3
Li, L.4
Wu, Y.-T.5
Zhang, Z.-B.6
-
24
-
-
76149098949
-
Chemical absorption of sulfur dioxide in room-temperature ionic liquids
-
Shiflett, M. B.; Yokozeki, A. Chemical absorption of sulfur dioxide in room-temperature ionic liquids. Ind. Eng. Chem. Res. 2010, 49, 1370-1377.
-
(2010)
Ind. Eng. Chem. Res.
, vol.49
, pp. 1370-1377
-
-
Shiflett, M.B.1
Yokozeki, A.2
-
26
-
-
4544352432
-
2 absorption by an ionic liquid
-
2 absorption by an ionic liquid. Angew. Chem., Int. Ed. 2004, 43, 2415-2417.
-
(2004)
Angew. Chem., Int. Ed.
, vol.43
, pp. 2415-2417
-
-
Wu, W.1
Han, B.2
Gao, H.3
Liu, Z.4
Jiang, T.5
Huang, J.6
-
27
-
-
34248597149
-
2 absorption/desorption properties of Poly(1,1,3,3-tetramethylguanidine acrylate)
-
2 absorption/desorption properties of Poly(1,1,3,3-tetramethylguanidine acrylate). Macromolecules 2007, 40, 3388-3393.
-
(2007)
Macromolecules
, vol.40
, pp. 3388-3393
-
-
An, D.1
Wu, L.2
Li, B.-G.3
Zhu, S.4
-
29
-
-
79961148478
-
2 capture by tunable azole-based ionic liquids through multiple-site chemical absorption
-
2 capture by tunable azole-based ionic liquids through multiple-site chemical absorption. J. Am. Chem. Soc. 2011, 133, 11916-11919.
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 11916-11919
-
-
Wang, C.1
Cui, G.2
Luo, X.3
Xu, Y.4
Li, H.5
Dai, S.6
-
30
-
-
84856869927
-
2 capture by dual functionalized ionic liquids through a combination of chemical and physical absorption
-
2 capture by dual functionalized ionic liquids through a combination of chemical and physical absorption. Chem. Commun. 2012, 48, 2633-2635.
-
(2012)
Chem. Commun.
, vol.48
, pp. 2633-2635
-
-
Cui, G.1
Wang, C.2
Zheng, J.3
Guo, Y.4
Luo, X.5
Li, H.6
-
31
-
-
84870928381
-
2 capture
-
2 capture. RSC Adv. 2013, 3, 566-572.
-
(2013)
RSC Adv.
, vol.3
, pp. 566-572
-
-
Koech, P.K.1
Zhang, J.2
Kutnyakov, I.V.3
Cosimbescu, L.4
Lee, S.-J.5
Bowden, M.E.6
Smurthwaite, T.D.7
Heldebrant, D.J.8
-
32
-
-
79955373913
-
2-binding organic liquids, an integrated acid gas capture system
-
2-binding organic liquids, an integrated acid gas capture system. Energy Procedia 2011, 4, 216-223.
-
(2011)
Energy Procedia
, vol.4
, pp. 216-223
-
-
Heldebrant, D.J.1
Koech, P.K.2
Rainbolt, J.E.3
Zheng, F.4
-
34
-
-
67949103406
-
2: Ionic liquids with O-alkylxanthate, O-alkylthiocarbonyl, and O-alkylsulfite Anions
-
2: Ionic liquids with O-alkylxanthate, O-alkylthiocarbonyl, and O-alkylsulfite Anions. Chem. - Eur. J. 2009, 15, 7619-7627.
-
(2009)
Chem. - Eur. J.
, vol.15
, pp. 7619-7627
-
-
Heldebrant, D.J.1
Yonker, C.R.2
Jessop, P.G.3
Phan, L.4
-
35
-
-
24144497474
-
Green chemistry: Reversible nonpolar-to-polar solvent
-
Jessop, P. G.; Heldebrant, D. J.; Li, X.; Eckert, C. A.; Liotta, C. L. Green chemistry: Reversible nonpolar-to-polar solvent. Nature 2005, 436, 1102-1102.
-
(2005)
Nature
, vol.436
, pp. 1102-1102
-
-
Jessop, P.G.1
Heldebrant, D.J.2
Li, X.3
Eckert, C.A.4
Liotta, C.L.5
-
36
-
-
84882988536
-
2-binding organic liquids with a polarity change
-
2-binding organic liquids with a polarity change. Energy Environ. Sci. 2013, 6, 2233-2242.
-
(2013)
Energy Environ. Sci.
, vol.6
, pp. 2233-2242
-
-
Mathias, P.M.1
Afshar, K.2
Zheng, F.3
Bearden, M.D.4
Freeman, C.J.5
Andrea, T.6
Koech, P.K.7
Kutnyakov, I.8
Zwoster, A.9
Smith, A.R.10
Jessop, P.G.11
Nik, O.G.12
Heldebrant, D.J.13
-
37
-
-
84898750906
-
2 capture using polarity-swing-assisted regeneration
-
2 capture using polarity-swing-assisted regeneration. Energy Procedia 2013, 37, 285-291.
-
(2013)
Energy Procedia
, vol.37
, pp. 285-291
-
-
Zhang, J.1
Kutnyakov, I.2
Koech, P.K.3
Zwoster, A.4
Howard, C.5
Zheng, F.6
Freeman, C.J.7
Heldebrant, D.J.8
-
38
-
-
79953658390
-
Chemically selective gas sweetening without thermalswing regeneration
-
Koech, P. K.; Rainbolt, J. E.; Bearden, M. D.; Zheng, F.; Heldebrant, D. J. Chemically selective gas sweetening without thermalswing regeneration. Energy Environ. Sci. 2011, 4, 1385-1390.
-
(2011)
Energy Environ. Sci.
, vol.4
, pp. 1385-1390
-
-
Koech, P.K.1
Rainbolt, J.E.2
Bearden, M.D.3
Zheng, F.4
Heldebrant, D.J.5
-
41
-
-
84866179564
-
2 capture and comparisons to ionic liquids
-
2 capture and comparisons to ionic liquids. Sci. China: Chem. 2012, 55, 1638-1647.
-
(2012)
Sci. China: Chem.
, vol.55
, pp. 1638-1647
-
-
Shannon, M.S.1
Hindman, M.S.2
Danielsen, S.P.O.3
Tedstone, J.M.4
Gilmore, R.D.5
Bara, J.E.6
-
42
-
-
84861890032
-
Molecular simulation of the thermophysical properties of N-functionalized alkylimidazoles
-
Turner, C. H.; Cooper, A.; Zhang, Z.; Shannon, M. S.; Bara, J. E. Molecular simulation of the thermophysical properties of N-functionalized alkylimidazoles. J. Phys. Chem. B 2012, 116, 6529-6535.
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 6529-6535
-
-
Turner, C.H.1
Cooper, A.2
Zhang, Z.3
Shannon, M.S.4
Bara, J.E.5
-
43
-
-
79960378231
-
2 capture and comparisons to imidazolium-based ionic liquids
-
2 capture and comparisons to imidazolium-based ionic liquids. Ind. Eng. Chem. Res. 2011, 50, 8665-8677.
-
(2011)
Ind. Eng. Chem. Res.
, vol.50
, pp. 8665-8677
-
-
Shannon, M.S.1
Bara, J.E.2
-
45
-
-
84898480032
-
2 in five low volatile organic solvents (sulfolane, ethylene glycol, propylene carbonate, Nmethylimidazole, and N-methylpyrrolidone)
-
2 in five low volatile organic solvents (sulfolane, ethylene glycol, propylene carbonate, Nmethylimidazole, and N-methylpyrrolidone). J. Chem. Eng. Data 2014, 59, 1202-1212.
-
(2014)
J. Chem. Eng. Data
, vol.59
, pp. 1202-1212
-
-
Huang, K.1
Xia, S.2
Zhang, X.-M.3
Chen, Y.-L.4
Wu, Y.-T.5
Hu, X.-B.6
-
46
-
-
84904741776
-
2 in N-dodecylimidazole and 1,1′-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)]bis(imidazole): An evaluation of their potential application in the separation of acidic gases
-
2 in N-dodecylimidazole and 1,1′-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)]bis(imidazole): An evaluation of their potential application in the separation of acidic gases. Fluid Phase Equilib. 2014, 378, 21-33.
-
(2014)
Fluid Phase Equilib.
, vol.378
, pp. 21-33
-
-
Huang, K.1
Chen, Y.-L.2
Zhang, X.-M.3
Ma, S.-L.4
Wu, Y.-T.5
Hu, X.-B.6
-
47
-
-
84901981489
-
Tuning the adsorption interactions of imidazole derivatives with specific metal cations
-
Liu, H.; Bara, J. E.; Turner, C. H. Tuning the adsorption interactions of imidazole derivatives with specific metal cations. J. Phys. Chem. A 2014, 118, 3944-3951.
-
(2014)
J. Phys. Chem. A
, vol.118
, pp. 3944-3951
-
-
Liu, H.1
Bara, J.E.2
Turner, C.H.3
-
48
-
-
84876512988
-
DFT study on the effect of exocyclic substituents on the proton affinity of 1-methylimidazole
-
Liu, H.; Bara, J. E.; Turner, C. H. DFT study on the effect of exocyclic substituents on the proton affinity of 1-methylimidazole. Chem. Phys. 2013, 416, 21-25.
-
(2013)
Chem. Phys.
, vol.416
, pp. 21-25
-
-
Liu, H.1
Bara, J.E.2
Turner, C.H.3
-
49
-
-
84883317522
-
Synthesis of 1,2-Dialkyl-,1,4(5)-dialkyl-, and 1,2,4(5)-trialkylimidazoles via a one-pot method
-
Hindman, M. S.; Stanton, A. D.; Irvin, A. C.; Wallace, D. A.; Moon, J. D.; Reclusado, K. R.; Liu, H.; Belmore, K. A.; Liang, Q.; Shannon, M. S.; Turner, C. H.; Bara, J. E. Synthesis of 1,2-Dialkyl-,1,4(5)-dialkyl-, and 1,2,4(5)-trialkylimidazoles via a one-pot method. Ind. Eng. Chem. Res. 2013, 52, 11880-11887.
-
(2013)
Ind. Eng. Chem. Res.
, vol.52
, pp. 11880-11887
-
-
Hindman, M.S.1
Stanton, A.D.2
Irvin, A.C.3
Wallace, D.A.4
Moon, J.D.5
Reclusado, K.R.6
Liu, H.7
Belmore, K.A.8
Liang, Q.9
Shannon, M.S.10
Turner, C.H.11
Bara, J.E.12
-
50
-
-
83655190661
-
Versatile and scalable method for producing N-functionalized imidazoles
-
Bara, J. E. Versatile and scalable method for producing N-functionalized imidazoles. Ind. Eng. Chem. Res. 2011, 50, 13614-13619.
-
(2011)
Ind. Eng. Chem. Res.
, vol.50
, pp. 13614-13619
-
-
Bara, J.E.1
-
51
-
-
84870457983
-
Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of alkoxy derivatives of imidazole and benzimidazole
-
Garist, I. V.; Verevkin, S. P.; Samarov, A. A.; Bara, J. E.; Hindman, M. S.; Danielsen, S. P. O. Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of alkoxy derivatives of imidazole and benzimidazole. Ind. Eng. Chem. Res. 2012, 51, 15517-15524.
-
(2012)
Ind. Eng. Chem. Res.
, vol.51
, pp. 15517-15524
-
-
Garist, I.V.1
Verevkin, S.P.2
Samarov, A.A.3
Bara, J.E.4
Hindman, M.S.5
Danielsen, S.P.O.6
-
52
-
-
79958799391
-
Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
-
Emel'yanenko, V. N.; Portnova, S. V.; Verevkin, S. P.; Skrzypczak, A.; Schubert, T. Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles. J. Chem. Thermodyn. 2011, 43, 1500-1505.
-
(2011)
J. Chem. Thermodyn.
, vol.43
, pp. 1500-1505
-
-
Emel'yanenko, V.N.1
Portnova, S.V.2
Verevkin, S.P.3
Skrzypczak, A.4
Schubert, T.5
-
53
-
-
79954487248
-
Thermodynamics of ionic liquids precursors: 1-Methylimidazole
-
Verevkin, S. P.; Zaitsau, D. H.; Emel'yanenko, V. N.; Paulechka, Y. U.; Blokhin, A. V.; Bazyleva, A. B.; Kabo, G. J. Thermodynamics of ionic liquids precursors: 1-Methylimidazole. J. Phys. Chem. B 2011, 115, 4404-4411.
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 4404-4411
-
-
Verevkin, S.P.1
Zaitsau, D.H.2
Emel'yanenko, V.N.3
Paulechka, Y.U.4
Blokhin, A.V.5
Bazyleva, A.B.6
Kabo, G.J.7
-
54
-
-
70450206724
-
-
Gaussian, Inc.: Wallingford, CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. J. A.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, N. J.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, Ö.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09; Gaussian, Inc.: Wallingford, CT, 2009.
-
(2009)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery, J.J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, N.J.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.L.61
Morokuma, K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas, Ö.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
55
-
-
43049141516
-
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: Two new functionals and systematic testing of four M06-class functionals and 12 other functionals
-
Zhao, Y.; Truhlar, D. G. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: Two new functionals and systematic testing of four M06-class functionals and 12 other functionals. Theor. Chem. Acc. 2008, 120, 215-241.
-
(2008)
Theor. Chem. Acc.
, vol.120
, pp. 215-241
-
-
Zhao, Y.1
Truhlar, D.G.2
-
56
-
-
40549127108
-
Density functionals with broad applicability in chemistry
-
Zhao, Y.; Truhlar, D. G. Density functionals with broad applicability in chemistry. Acc. Chem. Res. 2008, 41, 157-167.
-
(2008)
Acc. Chem. Res.
, vol.41
, pp. 157-167
-
-
Zhao, Y.1
Truhlar, D.G.2
-
57
-
-
84890021933
-
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
-
Boys, S. F.; Bernadi, F. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors. Mol. Phys. 1970, 19, 553-566.
-
(1970)
Mol. Phys.
, vol.19
, pp. 553-566
-
-
Boys, S.F.1
Bernadi, F.2
-
58
-
-
30244527819
-
How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?
-
Simon, S.; Duran, M.; Dannenberg, J. J. How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? J. Chem. Phys. 1996, 105, 11024-11031.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 11024-11031
-
-
Simon, S.1
Duran, M.2
Dannenberg, J.J.3
-
59
-
-
84859907744
-
Free volume as the basis of gas solubility and selectivity in imidazolium-based ionic liquids
-
Shannon, M. S.; Tedstone, J. M.; Danielsen, S. P. O.; Hindman, M. S.; Irvin, A. C.; Bara, J. E. Free volume as the basis of gas solubility and selectivity in imidazolium-based ionic liquids. Ind. Eng. Chem. Res. 2012, 51, 5565-5576.
-
(2012)
Ind. Eng. Chem. Res.
, vol.51
, pp. 5565-5576
-
-
Shannon, M.S.1
Tedstone, J.M.2
Danielsen, S.P.O.3
Hindman, M.S.4
Irvin, A.C.5
Bara, J.E.6
-
61
-
-
4243539377
-
Electronic structure calculations on workstation computers: The program system turbomole
-
Ahlrichs, R.; Bär, M.; Häser, M.; Horn, H.; Kölmel, C. Electronic structure calculations on workstation computers: The program system turbomole. Chem. Phys. Lett. 1989, 162, 165-169.
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 165-169
-
-
Ahlrichs, R.1
Bär, M.2
Häser, M.3
Horn, H.4
Kölmel, C.5
-
62
-
-
0039209924
-
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
-
Schafer, A.; Huber, C.; Ahlrichs, R. Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr. J. Chem. Phys. 1994, 100, 5829-5835.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5829-5835
-
-
Schafer, A.1
Huber, C.2
Ahlrichs, R.3
-
63
-
-
4243553426
-
Density-functional exchange-energy approximation with correct asymptotic behavior
-
Becke, A. D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 1988, 38, 3098-3100.
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
64
-
-
5944261746
-
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
-
Perdew, J. P. Density-functional approximation for the correlation energy of the inhomogeneous electron gas. Phys. Rev. B 1986, 33, 8822-8824.
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8822-8824
-
-
Perdew, J.P.1
-
65
-
-
84885099113
-
2 capture by amine functionalized PEG
-
2 capture by amine functionalized PEG. Phys. Chem. Chem. Phys. 2013, 15, 18123-18127.
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 18123-18127
-
-
Yang, D.1
Hou, M.2
Ning, H.3
Zhang, J.4
Ma, J.5
Han, B.6
-
66
-
-
0001617001
-
Vibrational spectra and ab initio DFT calculations of 4-methylimidazole and its different protonation forms: Infrared and Raman markers of the protonation state of a histidine side chain
-
Hasegawa, K.; Ono, T.-a.; Noguchi, T. Vibrational spectra and ab initio DFT calculations of 4-methylimidazole and its different protonation forms: Infrared and Raman markers of the protonation state of a histidine side chain. J. Phys. Chem. B 2000, 104, 4253-4265.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 4253-4265
-
-
Hasegawa, K.1
Ono, T.-A.2
Noguchi, T.3
-
67
-
-
0000533665
-
Structures, bonding, and absorption spectra of amine-sulfur dioxide charge-transfer complexes
-
Wong, M. W.; Wiberg, K. B. Structures, bonding, and absorption spectra of amine-sulfur dioxide charge-transfer complexes. J. Am. Chem. Soc. 1992, 114, 7527-7535.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 7527-7535
-
-
Wong, M.W.1
Wiberg, K.B.2
-
68
-
-
0000916426
-
Spectrum-structure correlations in the infrared region
-
Colthup, N. B. Spectrum-structure correlations in the infrared region. J. Opt. Soc. Am. 1950, 40, 397-400.
-
(1950)
J. Opt. Soc. Am.
, vol.40
, pp. 397-400
-
-
Colthup, N.B.1
-
69
-
-
34547887275
-
2 capture by unexpected plastic-, resin-, and gel-like ionic soft materials discovered during the combi-click generation of a TSIL library
-
2 capture by unexpected plastic-, resin-, and gel-like ionic soft materials discovered during the combi-click generation of a TSIL library. Chem. Mater. 2007, 19, 3581-3583.
-
(2007)
Chem. Mater.
, vol.19
, pp. 3581-3583
-
-
Soutullo, M.D.1
Odom, C.I.2
Wicker, B.F.3
Henderson, C.N.4
Stenson, A.C.5
Davis, J.H.6
|