-
1
-
-
77954596269
-
Extraction of polysaccharides from bran with phosphonate or phosphinate-derived ionic liquids under short mixing time and low temperature
-
M. Abe, Y. Fukaya, and H. Ohno Extraction of polysaccharides from bran with phosphonate or phosphinate-derived ionic liquids under short mixing time and low temperature Green Chemistry 12 2010 1274 1280
-
(2010)
Green Chemistry
, vol.12
, pp. 1274-1280
-
-
Abe, M.1
Fukaya, Y.2
Ohno, H.3
-
2
-
-
66149085164
-
Solvation of Ln((III)) lanthanide cations in the [BMI][SCN], [MeBu(3)N][SCN], and [BMI](5)[Ln(NCS)(8)] ionic liquids: A molecular dynamics study
-
A. Chaumont, and G. Wipff Solvation of Ln((III)) lanthanide cations in the [BMI][SCN], [MeBu(3)N][SCN], and [BMI](5)[Ln(NCS)(8)] ionic liquids: A molecular dynamics study Inorganic Chemistry 48 2009 4277 4289
-
(2009)
Inorganic Chemistry
, vol.48
, pp. 4277-4289
-
-
Chaumont, A.1
Wipff, G.2
-
3
-
-
80052332742
-
Dissecting force interactions in cellulose deconstruction reveals the required solvent versatility for overcoming biomass recalcitrance
-
H.M. Cho, A.S. Gross, and J.W. Chu Dissecting force interactions in cellulose deconstruction reveals the required solvent versatility for overcoming biomass recalcitrance Journal of the American Chemical Society 133 2011 14033 14041
-
(2011)
Journal of the American Chemical Society
, vol.133
, pp. 14033-14041
-
-
Cho, H.M.1
Gross, A.S.2
Chu, J.W.3
-
4
-
-
0029011701
-
A 2nd generation force-field for the simulation of proteins, nucleic-acids, and organic-molecules
-
W.D. Cornell, P. Cieplak, C.I. Bayly, I.R. Gould, K.M. Merz, and D.M. Ferguson A 2nd generation force-field for the simulation of proteins, nucleic-acids, and organic-molecules Journal of the American Chemical Society 117 1995 5179 5197
-
(1995)
Journal of the American Chemical Society
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
-
6
-
-
84863012247
-
Understanding structures and hydrogen bonds of ionic liquids at the electronic level
-
K. Dong, Y. Song, X. Liu, W. Cheng, X. Yao, and S. Zhang Understanding structures and hydrogen bonds of ionic liquids at the electronic level Journal of Physical Chemistry B 116 2012 1007 1017
-
(2012)
Journal of Physical Chemistry B
, vol.116
, pp. 1007-1017
-
-
Dong, K.1
Song, Y.2
Liu, X.3
Cheng, W.4
Yao, X.5
Zhang, S.6
-
7
-
-
37849010676
-
Cellulose dissolution with polar ionic liquids under mild conditions: Required factors for anions
-
Y. Fukaya, K. Hayashi, M. Wada, and H. Ohno Cellulose dissolution with polar ionic liquids under mild conditions: Required factors for anions Green Chemistry 10 2008 44 46
-
(2008)
Green Chemistry
, vol.10
, pp. 44-46
-
-
Fukaya, Y.1
Hayashi, K.2
Wada, M.3
Ohno, H.4
-
8
-
-
81555214722
-
Thermodynamics of cellulose solvation in water and the ionic liquid 1-butyl-3-methylimidazolim chloride
-
A.S. Gross, A.T. Bell, and J.W. Chu Thermodynamics of cellulose solvation in water and the ionic liquid 1-butyl-3-methylimidazolim chloride Journal of Physical Chemistry B 115 2011 13433 13440
-
(2011)
Journal of Physical Chemistry B
, vol.115
, pp. 13433-13440
-
-
Gross, A.S.1
Bell, A.T.2
Chu, J.W.3
-
9
-
-
77956894502
-
Probing anion-cellulose interactions in imidazolium-based room temperature ionic liquids: A density functional study
-
J. Guo, D. Zhang, C. Duan, and C. Liu Probing anion-cellulose interactions in imidazolium-based room temperature ionic liquids: A density functional study Carbohydrate Research 345 2010 2201 2205
-
(2010)
Carbohydrate Research
, vol.345
, pp. 2201-2205
-
-
Guo, J.1
Zhang, D.2
Duan, C.3
Liu, C.4
-
10
-
-
77955244476
-
A theoretical investigation of the interactions between cellulose and 1-butyl-3-methylimidazolium chloride
-
J.X. Guo, D.J. Zhang, and C.B. Liu A theoretical investigation of the interactions between cellulose and 1-butyl-3-methylimidazolium chloride Journal of Theoretical and Computational Chemistry 9 2010 611 624
-
(2010)
Journal of Theoretical and Computational Chemistry
, vol.9
, pp. 611-624
-
-
Guo, J.X.1
Zhang, D.J.2
Liu, C.B.3
-
12
-
-
39049147617
-
GLYCAM06: A generalizable biomolecular force field. carbohydrates
-
DOI 10.1002/jcc.20820
-
K.N. Kirschner, A.B. Yongye, S.M. Tschampel, J. Gonzalez-Outeirino, C.R. Daniels, and B.L. Foley GLYCAM06: A generalizable biomolecular force field. Carbohydrates Journal of Computational Chemistry 29 2008 622 655 (Pubitemid 351238844)
-
(2008)
Journal of Computational Chemistry
, vol.29
, Issue.4
, pp. 622-655
-
-
Kirschner, K.N.1
Yongye, A.B.2
Tschampel, S.M.3
Gonzalez-Outeirino, J.4
Daniels, C.R.5
Foley, B.L.6
Woods, R.J.7
-
13
-
-
77950193653
-
Understanding the interactions of cellulose with ionic liquids: A molecular dynamics study
-
H.B. Liu, K.L. Sale, B.M. Holmes, B.A. Simmons, and S. Singh Understanding the interactions of cellulose with ionic liquids: A molecular dynamics study Journal of Physical Chemistry B 114 2010 4293 4301
-
(2010)
Journal of Physical Chemistry B
, vol.114
, pp. 4293-4301
-
-
Liu, H.B.1
Sale, K.L.2
Holmes, B.M.3
Simmons, B.A.4
Singh, S.5
-
14
-
-
74549206763
-
Molecular simulations of phosphonium-based ionic liquid
-
X. Liu, G. Zhou, S. Zhang, and G. Yu Molecular simulations of phosphonium-based ionic liquid Molecular Simulation 36 2010 79 86
-
(2010)
Molecular Simulation
, vol.36
, pp. 79-86
-
-
Liu, X.1
Zhou, G.2
Zhang, S.3
Yu, G.4
-
15
-
-
33745773084
-
New force field for molecular simulation of guanidinium-based ionic liquids
-
X.M. Liu, S.J. Zhang, G.H. Zhou, G.W. Wu, X.L. Yuan, and X.Q. Yao New force field for molecular simulation of guanidinium-based ionic liquids Journal of Physical Chemistry B 110 2006 12062 12071
-
(2006)
Journal of Physical Chemistry B
, vol.110
, pp. 12062-12071
-
-
Liu, X.M.1
Zhang, S.J.2
Zhou, G.H.3
Wu, G.W.4
Yuan, X.L.5
Yao, X.Q.6
-
16
-
-
34250368869
-
Molecular simulation of guanidinium-based ionic liquids
-
X.M. Liu, G.H. Zhou, S.J. Zhang, G.W. Wu, and G.R. Yu Molecular simulation of guanidinium-based ionic liquids Journal of Physical Chemistry B 111 2007 5658 5668
-
(2007)
Journal of Physical Chemistry B
, vol.111
, pp. 5658-5668
-
-
Liu, X.M.1
Zhou, G.H.2
Zhang, S.J.3
Wu, G.W.4
Yu, G.R.5
-
17
-
-
4444352768
-
A refined force field for molecular simulation of imidazolium-based ionic liquids
-
Z.P. Liu, S.P. Huang, and W.C. Wang A refined force field for molecular simulation of imidazolium-based ionic liquids Journal of Physical Chemistry B 108 2004 12978 12989
-
(2004)
Journal of Physical Chemistry B
, vol.108
, pp. 12978-12989
-
-
Liu, Z.P.1
Huang, S.P.2
Wang, W.C.3
-
18
-
-
0034206682
-
M.DynaMix-A scalable portable parallel MD simulation package for arbitrary molecular mixtures
-
A.P. Lyubartsev, and A. Laaksonen M.DynaMix-A scalable portable parallel MD simulation package for arbitrary molecular mixtures Computer Physics Communications 128 2000 565 589
-
(2000)
Computer Physics Communications
, vol.128
, pp. 565-589
-
-
Lyubartsev, A.P.1
Laaksonen, A.2
-
19
-
-
0000026966
-
Explicit reversible integrators for extended systems dynamics
-
G.J. Martyna, M.E. Tuckerman, D.J. Tobias, and M.L. Klein Explicit reversible integrators for extended systems dynamics Molecular Physics 87 1996 1117 1157 (Pubitemid 126453963)
-
(1996)
Molecular Physics
, vol.87
, Issue.5
, pp. 1117-1157
-
-
Martyna, G.J.1
Tuckerman, M.E.2
Tobias, D.J.3
Klein, M.L.4
-
20
-
-
84856060907
-
Density functional theory investigations on the structure and dissolution mechanisms for cellobiose and xylan in an ionic liquid: Gas phase and cluster calculations
-
R.S. Payal, R. Bharath, G. Periyasamy, and S. Balasubramanian Density functional theory investigations on the structure and dissolution mechanisms for cellobiose and xylan in an ionic liquid: Gas phase and cluster calculations Journal of Physical Chemistry B 116 2012 833 840
-
(2012)
Journal of Physical Chemistry B
, vol.116
, pp. 833-840
-
-
Payal, R.S.1
Bharath, R.2
Periyasamy, G.3
Balasubramanian, S.4
-
23
-
-
52349090862
-
Solvation of carbohydrates in N,N′-dialkylimidazolium ionic liquids: A multinuclear NMR spectroscopy study
-
R.C. Remsing, G. Hernandez, R.P. Swatloski, W.W. Massefski, R.D. Rogers, and G. Moyna Solvation of carbohydrates in N,N′-dialkylimidazolium ionic liquids: A multinuclear NMR spectroscopy study Journal of Physical Chemistry B 112 2008 11071 11078
-
(2008)
Journal of Physical Chemistry B
, vol.112
, pp. 11071-11078
-
-
Remsing, R.C.1
Hernandez, G.2
Swatloski, R.P.3
Massefski, W.W.4
Rogers, R.D.5
Moyna, G.6
-
24
-
-
33644930839
-
Mechanism of cellulose dissolution in the ionic liquid 1-n-butyl-3-methylimidazolium chloride: A C-13 and Cl-35/37 NMR relaxation study on model systems
-
R.C. Remsing, R.P. Swatloski, R.D. Rogers, and G. Moyna Mechanism of cellulose dissolution in the ionic liquid 1-n-butyl-3-methylimidazolium chloride: A C-13 and Cl-35/37 NMR relaxation study on model systems Chemical Communications 12 2006 1271 1273
-
(2006)
Chemical Communications
, vol.12
, pp. 1271-1273
-
-
Remsing, R.C.1
Swatloski, R.P.2
Rogers, R.D.3
Moyna, G.4
-
25
-
-
0037042296
-
Dissolution of cellose with ionic liquids
-
DOI 10.1021/ja025790m
-
R.P. Swatloski, S.K. Spear, J.D. Holbrey, and R.D. Rogers Dissolution of cellose with ionic liquids Journal of the American Chemical Society 124 2002 4974 4975 (Pubitemid 34495887)
-
(2002)
Journal of the American Chemical Society
, vol.124
, Issue.18
, pp. 4974-4975
-
-
Swatloski, R.P.1
Spear, S.K.2
Holbrey, J.D.3
Rogers, R.D.4
-
26
-
-
33845554708
-
Crystallographic evidence for the existence of CH··· O, CH···N, and CH···C1 hydrogen-bonds
-
R. Taylor, and O. Kennard Crystallographic evidence for the existence of CH···O, CH···N, and CH···C1 hydrogen-bonds Journal of the American Chemical Society 104 1982 5063 5070
-
(1982)
Journal of the American Chemical Society
, vol.104
, pp. 5063-5070
-
-
Taylor, R.1
Kennard, O.2
-
28
-
-
67649422700
-
Extended dissolution studies of cellulose in imidazolium based ionic liquids
-
J. Vitz, T. Erdmenger, C. Haensch, and U.S. Schubert Extended dissolution studies of cellulose in imidazolium based ionic liquids Green Chemistry 11 2009 417 424
-
(2009)
Green Chemistry
, vol.11
, pp. 417-424
-
-
Vitz, J.1
Erdmenger, T.2
Haensch, C.3
Schubert, U.S.4
-
30
-
-
76349092223
-
Effects of anionic structure and lithium salts addition on the dissolution of cellulose in 1-butyl-3-methylimidazolium-based ionic liquid solvent systems
-
A.R. Xu, J.J. Wang, and H.Y. Wang Effects of anionic structure and lithium salts addition on the dissolution of cellulose in 1-butyl-3- methylimidazolium-based ionic liquid solvent systems Green Chemistry 12 2010 268 275
-
(2010)
Green Chemistry
, vol.12
, pp. 268-275
-
-
Xu, A.R.1
Wang, J.J.2
Wang, H.Y.3
-
31
-
-
84862123933
-
Understanding the mechanism of cellulose dissolution in 1-butyl-3-methylimidazolium chloride ionic liquid via quantum chemistry calculations and molecular dynamics simulations
-
H. Xu, W. Pan, R. Wang, D. Zhang, and C. Liu Understanding the mechanism of cellulose dissolution in 1-butyl-3-methylimidazolium chloride ionic liquid via quantum chemistry calculations and molecular dynamics simulations Journal of Computer-Aided Molecular Design 26 2012 329 337
-
(2012)
Journal of Computer-Aided Molecular Design
, vol.26
, pp. 329-337
-
-
Xu, H.1
Pan, W.2
Wang, R.3
Zhang, D.4
Liu, C.5
-
32
-
-
38049156339
-
Glucose solvation by the ionic liquid 1,3-dimethylimidazolium chloride: A simulation study
-
T.G.A. Youngs, C. Hardacre, and J.D. Holbrey Glucose solvation by the ionic liquid 1,3-dimethylimidazolium chloride: A simulation study Journal of Physical Chemistry B 111 2007 13765 13774
-
(2007)
Journal of Physical Chemistry B
, vol.111
, pp. 13765-13774
-
-
Youngs, T.G.A.1
Hardacre, C.2
Holbrey, J.D.3
-
33
-
-
33751254770
-
A molecular dynamics study of glucose solvation in the ionic liquid 1,3-dimethylimidazolium chloride
-
T.G.A. Youngs, J.D. Holbrey, M. Deetlefs, M. Nieuwenhuyzen, M.F.C. Gomes, and C. Hardacre A molecular dynamics study of glucose solvation in the ionic liquid 1,3-dimethylimidazolium chloride Chemphyschem 7 2006 2279 2281
-
(2006)
Chemphyschem
, vol.7
, pp. 2279-2281
-
-
Youngs, T.G.A.1
Holbrey, J.D.2
Deetlefs, M.3
Nieuwenhuyzen, M.4
Gomes, M.F.C.5
Hardacre, C.6
-
34
-
-
77149160579
-
NMR spectroscopic studies of cellobiose solvation in EmimAc aimed to understand the dissolution mechanism of cellulose in ionic liquids
-
J. Zhang, H. Zhang, J. Wu, J. Zhang, J. He, and J. Xiang NMR spectroscopic studies of cellobiose solvation in EmimAc aimed to understand the dissolution mechanism of cellulose in ionic liquids Physical Chemistry Chemical Physics 12 2010 1941 1947
-
(2010)
Physical Chemistry Chemical Physics
, vol.12
, pp. 1941-1947
-
-
Zhang, J.1
Zhang, H.2
Wu, J.3
Zhang, J.4
He, J.5
Xiang, J.6
-
35
-
-
84866088971
-
Effects of cationic structure on cellulose dissolution in ionic liquids: A molecular dynamics study
-
Y. Zhao, X. Liu, J. Wang, and S. Zhang Effects of cationic structure on cellulose dissolution in ionic liquids: A molecular dynamics study Chemphyschem 13 2012 3126 3133
-
(2012)
Chemphyschem
, vol.13
, pp. 3126-3133
-
-
Zhao, Y.1
Liu, X.2
Wang, J.3
Zhang, S.4
|