-
1
-
-
33749834322
-
Synthesis of Transportation Fuels from Biomass: Chemistry, Catalysts, and Engineering
-
Huber, G. W.; Iborra, S.; Corma, A. Synthesis of Transportation Fuels from Biomass: Chemistry, Catalysts, and Engineering Chem. Rev. 2006, 106, 4044-4098
-
(2006)
Chem. Rev.
, vol.106
, pp. 4044-4098
-
-
Huber, G.W.1
Iborra, S.2
Corma, A.3
-
3
-
-
31544452808
-
The Path Forward for Biofuels and Biomaterials
-
Ragauskas, A. J.; Williams, C. K.; Davison, B. H.; Britovsek, G.; Cairney, J.; Eckert, C. A.; Frederick, W. J.; Hallett, J. P.; Leak, D. J.; Liotta, C. L. The Path Forward for Biofuels and Biomaterials Science 2006, 311, 484-489
-
(2006)
Science
, vol.311
, pp. 484-489
-
-
Ragauskas, A.J.1
Williams, C.K.2
Davison, B.H.3
Britovsek, G.4
Cairney, J.5
Eckert, C.A.6
Frederick, W.J.7
Hallett, J.P.8
Leak, D.J.9
Liotta, C.L.10
-
4
-
-
0003890027
-
-
2 nd ed. Dumitriu, S. Marcel Dekker: New York
-
Perez, S.; Mazeau, K. In Polysaccharides: Structural Diversity and Functional Versatility, 2 nd ed.; Dumitriu, S., Ed.; Marcel Dekker: New York, 2005; pp 41-68.
-
(2005)
Polysaccharides: Structural Diversity and Functional Versatility
, pp. 41-68
-
-
Perez, S.1
Mazeau, K.2
-
5
-
-
33846951759
-
Biomass Recalcitrance: Engineering Plants and Enzymes for Biofuels Production
-
Himmel, M. E.; Ding, S. Y.; Johnson, D. K.; Adney, W. S.; Nimlos, M. R.; Brady, J. W.; Foust, T. D. Biomass Recalcitrance: Engineering Plants and Enzymes for Biofuels Production Science 2007, 315, 804-807
-
(2007)
Science
, vol.315
, pp. 804-807
-
-
Himmel, M.E.1
Ding, S.Y.2
Johnson, D.K.3
Adney, W.S.4
Nimlos, M.R.5
Brady, J.W.6
Foust, T.D.7
-
6
-
-
77958469124
-
On the Molecular Origins of Biomass Recalcitrance: The Interaction Network and Solvation Structures of Cellulose Microfibrils
-
Gross, A. S.; Chu, J.-W. On the Molecular Origins of Biomass Recalcitrance: The Interaction Network and Solvation Structures of Cellulose Microfibrils J. Phys. Chem. B 2010, 114, 13333-13341
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 13333-13341
-
-
Gross, A.S.1
Chu, J.-W.2
-
7
-
-
33947157565
-
What is (and Is Not) Vital to Advancing Cellulosic Ethanol
-
Wyman, C. E. What is (and Is Not) Vital to Advancing Cellulosic Ethanol Trends Biotechnol. 2007, 25, 153-157
-
(2007)
Trends Biotechnol.
, vol.25
, pp. 153-157
-
-
Wyman, C.E.1
-
8
-
-
55849106319
-
Pretreatment: The Key to Unlocking Low-Cost Cellulosic Ethanol
-
Yang, B.; Wyman, C. E. Pretreatment: The Key to Unlocking Low-Cost Cellulosic Ethanol Biofuels, Bioprod. Biorefin. 2008, 2, 26-40
-
(2008)
Biofuels, Bioprod. Biorefin.
, vol.2
, pp. 26-40
-
-
Yang, B.1
Wyman, C.E.2
-
9
-
-
23844479611
-
Coordinated Development of Leading Biomass Pretreatment Technologies
-
Wyman, C. E.; Dale, B. E.; Elander, R. T.; Holtzapple, M.; Ladisch, M. R.; Lee, Y. Y. Coordinated Development of Leading Biomass Pretreatment Technologies Bioresour. Technol. 2005, 96, 1959-1966
-
(2005)
Bioresour. Technol.
, vol.96
, pp. 1959-1966
-
-
Wyman, C.E.1
Dale, B.E.2
Elander, R.T.3
Holtzapple, M.4
Ladisch, M.R.5
Lee, Y.Y.6
-
10
-
-
0033199721
-
Biocommodity Engineering
-
Lynd, L. R.; Wyman, C. E.; Gerngross, T. U. Biocommodity Engineering Biotechnol. Prog. 1999, 15, 777-793
-
(1999)
Biotechnol. Prog.
, vol.15
, pp. 777-793
-
-
Lynd, L.R.1
Wyman, C.E.2
Gerngross, T.U.3
-
11
-
-
84864056914
-
Degree of Polymerization of Glucan Chains Shapes the Structure Fluctuations and Melting Thermodynamics of a Cellulose Microfibril
-
Chang, R.; Gross, A. S.; Chu, J. W. Degree of Polymerization of Glucan Chains Shapes the Structure Fluctuations and Melting Thermodynamics of a Cellulose Microfibril J. Phys. Chem. B 2012, 116, 8074-8083
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 8074-8083
-
-
Chang, R.1
Gross, A.S.2
Chu, J.W.3
-
14
-
-
0001363405
-
Solution Studies of Cellulose in Lithium-Chloride and N,N-Dimethylacetamide
-
Mccormick, C. L.; Callais, P. A.; Hutchinson, B. H. Solution Studies of Cellulose in Lithium-Chloride and N,N-Dimethylacetamide Macromolecules 1985, 18, 2394-2401
-
(1985)
Macromolecules
, vol.18
, pp. 2394-2401
-
-
McCormick, C.L.1
Callais, P.A.2
Hutchinson, B.H.3
-
15
-
-
0000271385
-
Homogeneous Solution Reactions of Cellulose, Chitin, and Other Polysaccharides to Produce Controlled-Activity Pesticide Systems
-
McCormick, C. L.; Lichatowich, D. K. Homogeneous Solution Reactions of Cellulose, Chitin, and Other Polysaccharides to Produce Controlled-Activity Pesticide Systems J. Polym. Sci., Polym. Lett. 1979, 17, 479-484
-
(1979)
J. Polym. Sci., Polym. Lett.
, vol.17
, pp. 479-484
-
-
McCormick, C.L.1
Lichatowich, D.K.2
-
16
-
-
0020152833
-
Investigation of the Cellulose LiCl Dimethylacetamide and Cellulose LiCl N-Methyl-2-Pyrrolidinone Solutions by C-13 NMR-Spectroscopy
-
El-Kafrawy, A. Investigation of the Cellulose LiCl Dimethylacetamide and Cellulose LiCl N-Methyl-2-Pyrrolidinone Solutions by C-13 NMR-Spectroscopy J. Appl. Polym. Sci. 1982, 27, 2435-2443
-
(1982)
J. Appl. Polym. Sci.
, vol.27
, pp. 2435-2443
-
-
El-Kafrawy, A.1
-
17
-
-
0038707500
-
The Investigation of the Influence of Water and Temperature on the LiCl/DMAc/Cellulose System
-
Chrapava, S.; Touraud, D.; Rosenau, T.; Potthast, A.; Kunz, W. The Investigation of the Influence of Water and Temperature on the LiCl/DMAc/Cellulose System Phys. Chem. Chem. Phys. 2003, 5, 1842-1847
-
(2003)
Phys. Chem. Chem. Phys.
, vol.5
, pp. 1842-1847
-
-
Chrapava, S.1
Touraud, D.2
Rosenau, T.3
Potthast, A.4
Kunz, W.5
-
18
-
-
84985598526
-
Investigations about Dissolution of Cellulose in the LiCl/N,N- Dimethylformamide System
-
Morgenstern, B.; Berger, W. Investigations About Dissolution of Cellulose in the LiCl/N,N-Dimethylformamide System Acta Polym. 1993, 44, 100-102
-
(1993)
Acta Polym.
, vol.44
, pp. 100-102
-
-
Morgenstern, B.1
Berger, W.2
-
19
-
-
0025545268
-
The Lithium Chloride/Dimethylacetamide Solvent for Cellulose -A Literature-Review
-
Dawsey, T. R.; Mccormick, C. L. The Lithium Chloride/Dimethylacetamide Solvent for Cellulose-a Literature-Review J. Macromol. Sci., R. M. C. 1990, C30, 405-440
-
(1990)
J. Macromol. Sci., R. M. C.
, vol.30
, pp. 405-440
-
-
Dawsey, T.R.1
McCormick, C.L.2
-
20
-
-
0002090667
-
Solvation in Cellulose-LiCl-DMAc Solutions
-
Morgenstern, B.; Kammer, H. W. Solvation in Cellulose-LiCl-DMAc Solutions Trends Polym. Sci. 1996, 4, 87-92
-
(1996)
Trends Polym. Sci.
, vol.4
, pp. 87-92
-
-
Morgenstern, B.1
Kammer, H.W.2
-
21
-
-
0028928183
-
Homogeneous Alkylation of Cellulose in Lithium-Chloride Dimethyl-Sulfoxide Solvent with Dimsyl Sodium Activation -A Proposal for the Mechanism of Cellulose Dissolution in Licl/Me(2)So
-
Petrus, L.; Gray, D. G.; Bemiller, J. N. Homogeneous Alkylation of Cellulose in Lithium-Chloride Dimethyl-Sulfoxide Solvent with Dimsyl Sodium Activation-A Proposal for the Mechanism of Cellulose Dissolution in Licl/Me(2)So Carbohydr. Res. 1995, 268, 319-323
-
(1995)
Carbohydr. Res.
, vol.268
, pp. 319-323
-
-
Petrus, L.1
Gray, D.G.2
Bemiller, J.N.3
-
22
-
-
0027111572
-
Dissolution of Cellulose in Lithium Bromide Organic-Solvent Systems and Homogeneous Bromination of Cellulose with N-Bromosuccinimide Triphenylphosphine in Lithium Bromide N,N-Dimethylacetamide
-
Furuhata, K. I.; Koganei, K.; Chang, H. S.; Aoki, N.; Sakamoto, M. Dissolution of Cellulose in Lithium Bromide Organic-Solvent Systems and Homogeneous Bromination of Cellulose with N-Bromosuccinimide Triphenylphosphine in Lithium Bromide N,N-Dimethylacetamide Carbohydr. Res. 1992, 230, 165-177
-
(1992)
Carbohydr. Res.
, vol.230
, pp. 165-177
-
-
Furuhata, K.I.1
Koganei, K.2
Chang, H.S.3
Aoki, N.4
Sakamoto, M.5
-
23
-
-
0015880848
-
Interaction of Lithium Salts with Model Amides
-
Balasubramanian, D.; Shaikh, R. Interaction of Lithium Salts with Model Amides Biopolymers 1973, 12, 1639-1650
-
(1973)
Biopolymers
, vol.12
, pp. 1639-1650
-
-
Balasubramanian, D.1
Shaikh, R.2
-
24
-
-
0013934923
-
Interactions of Protein-Denaturing Salts with Model Amides
-
Bello, J.; Haas, D.; Bello, H. R. Interactions of Protein-Denaturing Salts with Model Amides Biochemistry 1966, 5, 2539-2547
-
(1966)
Biochemistry
, vol.5
, pp. 2539-2547
-
-
Bello, J.1
Haas, D.2
Bello, H.R.3
-
25
-
-
2142793190
-
Complexing of Lithium Ion in Acetonitrile with Other Solvents -Investigation by Use of a Cation-Sensitive Glass-Electrode
-
Nakamura, T. Complexing of Lithium Ion in Acetonitrile with Other Solvents-Investigation by Use of a Cation-Sensitive Glass-Electrode Bull. Chem. Soc. Jpn. 1975, 48, 1447-1451
-
(1975)
Bull. Chem. Soc. Jpn.
, vol.48
, pp. 1447-1451
-
-
Nakamura, T.1
-
26
-
-
33750896666
-
Quantum-Chemical Simulation of Interaction of Polycaproamide with a Lithium Chloride Solution in Dimethylacetamide
-
Zelenkovskii, V. M.; Fen'ko, L. A.; Bil'dyukevich, A. V. Quantum-Chemical Simulation of Interaction of Polycaproamide with a Lithium Chloride Solution in Dimethylacetamide Polym. Sci., Ser. B 2006, 48, 28-31
-
(2006)
Polym. Sci., Ser. B
, vol.48
, pp. 28-31
-
-
Zelenkovskii, V.M.1
Fen'Ko, L.A.2
Bil'Dyukevich, A.V.3
-
27
-
-
52349090862
-
Solvation of Carbohydrates in N,N′-Dialkylimidazolium Ionic Liquids: A Multinuclear NMR Spectroscopy Study
-
Remsing, R. C.; Hernandez, G.; Swatloski, R. P.; Massefski, W. W.; Rogers, R. D.; Moyna, G. Solvation of Carbohydrates in N,N′- Dialkylimidazolium Ionic Liquids: A Multinuclear NMR Spectroscopy Study J. Phys. Chem. B 2008, 112, 11071-11078
-
(2008)
J. Phys. Chem. 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
-
28
-
-
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
-
Remsing, R. C.; Swatloski, R. P.; Rogers, R. D.; Moyna, G. 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 Chem. Commun. 2006, 1271-1273
-
(2006)
Chem. Commun.
, pp. 1271-1273
-
-
Remsing, R.C.1
Swatloski, R.P.2
Rogers, R.D.3
Moyna, G.4
-
29
-
-
33751254770
-
A Molecular Dynamics Study of Glucose Solvation in the Ionic Liquid 1,3-Dimethylimidazolium Chloride
-
Youngs, T. G. A.; Holbrey, J. D.; Deetlefs, M.; Nieuwenhuyzen, M.; Gomes, M. F. C.; Hardacre, C. A Molecular Dynamics Study of Glucose Solvation in the Ionic Liquid 1,3-Dimethylimidazolium Chloride ChemPhysChem 2006, 7, 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
-
30
-
-
38049156339
-
Glucose Solvation by the Ionic Liquid 1,3-Dimethylimidazolium Chloride: A Simulation Study
-
Youngs, T. G. A.; Hardacre, C.; Holbrey, J. D. Glucose Solvation by the Ionic Liquid 1,3-Dimethylimidazolium Chloride: A Simulation Study J. Phys. Chem. B 2007, 111, 13765-13774
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 13765-13774
-
-
Youngs, T.G.A.1
Hardacre, C.2
Holbrey, J.D.3
-
31
-
-
81555214722
-
Thermodynamics of Cellulose Solvation in Water and the Ionic Liquid 1-Butyl-3-Methylimidazolim Chloride
-
Gross, A. S.; Bell, A. T.; Chu, J.-W. Thermodynamics of Cellulose Solvation in Water and the Ionic Liquid 1-Butyl-3-Methylimidazolim Chloride J. Phys. Chem. B 2011, 115, 13433-13440
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 13433-13440
-
-
Gross, A.S.1
Bell, A.T.2
Chu, J.-W.3
-
32
-
-
84990101219
-
Li-7-NMR Study on Cellulose LiCl N.N-Dimethylacetamide Solutions
-
Morgenstern, B.; Kammer, H. W.; Berger, W.; Skrabal, P. Li-7-NMR Study on Cellulose LiCl N.N-Dimethylacetamide Solutions Acta Polym. 1992, 43, 356-357
-
(1992)
Acta Polym.
, vol.43
, pp. 356-357
-
-
Morgenstern, B.1
Kammer, H.W.2
Berger, W.3
Skrabal, P.4
-
33
-
-
55949131241
-
Urea Denaturation by Stronger Dispersion Interactions with Proteins than Water Implies a 2-Stage Unfolding
-
Hua, L.; Zhou, R. H.; Thirumalai, D.; Berne, B. J. Urea Denaturation by Stronger Dispersion Interactions with Proteins than Water Implies a 2-Stage Unfolding Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 16928-16933
-
(2008)
Proc. Natl. Acad. Sci. U.S.A.
, vol.105
, pp. 16928-16933
-
-
Hua, L.1
Zhou, R.H.2
Thirumalai, D.3
Berne, B.J.4
-
34
-
-
33749365298
-
A Molecular Mechanism for Osmolyte-Induced Protein Stability
-
Street, T. O.; Bolen, D. W.; Rose, G. D. A Molecular Mechanism for Osmolyte-Induced Protein Stability Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 13997-14002
-
(2006)
Proc. Natl. Acad. Sci. U.S.A.
, vol.103
, pp. 13997-14002
-
-
Street, T.O.1
Bolen, D.W.2
Rose, G.D.3
-
35
-
-
0000533627
-
Structure of Poly(1,4-Benzamide) Solutions
-
Panar, M.; Beste, L. F. Structure of Poly(1,4-Benzamide) Solutions Macromolecules 1977, 10, 1401-1406
-
(1977)
Macromolecules
, vol.10
, pp. 1401-1406
-
-
Panar, M.1
Beste, L.F.2
-
36
-
-
33244486953
-
The Maize Primary Cell Wall Microfibril: A New Model Derived from Direct Visualization
-
Ding, S. Y.; Himmel, M. E. The Maize Primary Cell Wall Microfibril: A New Model Derived from Direct Visualization J. Agric. Food Chem. 2006, 54, 597-606
-
(2006)
J. Agric. Food Chem.
, vol.54
, pp. 597-606
-
-
Ding, S.Y.1
Himmel, M.E.2
-
37
-
-
0344443362
-
Crystal Structure and Hydrogen Bonding System in Cellulose 1(alpha), from Synchrotron X-Ray and Neutron Fiber Diffraction
-
Nishiyama, Y.; Sugiyama, J.; Chanzy, H.; Langan, P. Crystal Structure and Hydrogen Bonding System in Cellulose 1(alpha), from Synchrotron X-Ray and Neutron Fiber Diffraction J. Am. Chem. Soc. 2003, 125, 14300-14306
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 14300-14306
-
-
Nishiyama, Y.1
Sugiyama, J.2
Chanzy, H.3
Langan, P.4
-
38
-
-
80052332742
-
Dissecting Force Interactions in Cellulose Deconstruction Reveals the Required Solvent Versatility for Overcoming Biomass Recalcitrance
-
Cho, H. M.; Gross, A. S.; Chu, J.-W. Dissecting Force Interactions in Cellulose Deconstruction Reveals the Required Solvent Versatility for Overcoming Biomass Recalcitrance J. Am. Chem. Soc. 2011, 133, 14033-14041
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 14033-14041
-
-
Cho, H.M.1
Gross, A.S.2
Chu, J.-W.3
-
39
-
-
70350476207
-
Reaction Path Optimization with Holonomic Constraints and Kinetic Energy Potentials
-
Brokaw, J. B.; Haas, K. R.; Chu, J. W. Reaction Path Optimization with Holonomic Constraints and Kinetic Energy Potentials J. Chem. Theory Comput. 2009, 5, 2050-2061
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 2050-2061
-
-
Brokaw, J.B.1
Haas, K.R.2
Chu, J.W.3
-
40
-
-
27344436659
-
Scalable Molecular Dynamics with NAMD
-
Phillips, J. C.; Braun, R.; Wang, W.; Gumbart, J.; Tajkhorshid, E.; Villa, E.; Chipot, C.; Skeel, R. D.; Kale, L.; Schulten, K. Scalable Molecular Dynamics with NAMD J. Comput. Chem. 2005, 26, 1781-1802
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1781-1802
-
-
Phillips, J.C.1
Braun, R.2
Wang, W.3
Gumbart, J.4
Tajkhorshid, E.5
Villa, E.6
Chipot, C.7
Skeel, R.D.8
Kale, L.9
Schulten, K.10
-
41
-
-
36449003554
-
Constant-Pressure Molecular-Dynamics Algorithms
-
Martyna, G. J.; Tobias, D. J.; Klein, M. L. Constant-Pressure Molecular-Dynamics Algorithms J. Chem. Phys. 1994, 101, 4177-4189
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 4177-4189
-
-
Martyna, G.J.1
Tobias, D.J.2
Klein, M.L.3
-
42
-
-
36449007836
-
Constant-Pressure Molecular-Dynamics Simulation -The Langevin Piston Method
-
Feller, S. E.; Zhang, Y. H.; Pastor, R. W.; Brooks, B. R. Constant-Pressure Molecular-Dynamics Simulation-the Langevin Piston Method J. Chem. Phys. 1995, 103, 4613-4621
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 4613-4621
-
-
Feller, S.E.1
Zhang, Y.H.2
Pastor, R.W.3
Brooks, B.R.4
-
43
-
-
84986512474
-
Charmm -A Program for Macromolecular Energy, Minimization, and Dynamics Calculations
-
Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. Charmm-a Program for Macromolecular Energy, Minimization, and Dynamics Calculations J. Comput. Chem. 1983, 4, 187-217
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
44
-
-
55349124614
-
Additive Empirical Force Field for Hexopyranose Monosaccharides
-
Guvench, O.; Greene, S. N.; Kamath, G.; Brady, J. W.; Venable, R. M.; Pastor, R. W.; Mackerell, A. D. Additive Empirical Force Field for Hexopyranose Monosaccharides J. Comput. Chem. 2008, 29, 2543-2564
-
(2008)
J. Comput. Chem.
, vol.29
, pp. 2543-2564
-
-
Guvench, O.1
Greene, S.N.2
Kamath, G.3
Brady, J.W.4
Venable, R.M.5
Pastor, R.W.6
MacKerell, A.D.7
-
45
-
-
73349137333
-
CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses
-
Guvench, O.; Hatcher, E.; Venable, R. M.; Pastor, R. W.; MacKerell, A. D. CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses J. Chem. Theory Comput. 2009, 5, 2353-2370
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 2353-2370
-
-
Guvench, O.1
Hatcher, E.2
Venable, R.M.3
Pastor, R.W.4
MacKerell, A.D.5
-
46
-
-
0004016501
-
Comparison of Simple Potential Functions for Simulating Liquid Water
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. Comparison of Simple Potential Functions for Simulating Liquid Water J. Chem. Phys. 1983, 79, 926-935
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
47
-
-
0001655657
-
Finite Representation of an Infinite Bulk System -Solvent Boundary Potential for Computer-Simulations
-
Beglov, D.; Roux, B. Finite Representation of an Infinite Bulk System-Solvent Boundary Potential for Computer-Simulations J. Chem. Phys. 1994, 100, 9050-9063
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 9050-9063
-
-
Beglov, D.1
Roux, B.2
-
48
-
-
33644879448
-
Absolute Hydration Free Energy Scale for Alkali and Halide Ions Established from Simulations with a Polarizable Force Field
-
Lamoureux, G.; Roux, B. Absolute Hydration Free Energy Scale for Alkali and Halide Ions Established from Simulations with a Polarizable Force Field J. Phys. Chem. B 2006, 110, 3308-3322
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 3308-3322
-
-
Lamoureux, G.1
Roux, B.2
-
49
-
-
34248359980
-
Multiscale Coarse-Graining and Structural Correlations: Connections to Liquid-State Theory
-
Noid, W. G.; Chu, J. W.; Ayton, G. S.; Voth, G. A. Multiscale Coarse-Graining and Structural Correlations: Connections to Liquid-State Theory J. Phys. Chem. B 2007, 111, 4116-4127
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 4116-4127
-
-
Noid, W.G.1
Chu, J.W.2
Ayton, G.S.3
Voth, G.A.4
-
50
-
-
0000496857
-
Geometry of C-H.O Hydrogen-Bonds in Carbohydrate Crystal-Structures -Analysis of Neutron-Diffraction Data
-
Steiner, T.; Saenger, W. Geometry of C-H...O Hydrogen-Bonds in Carbohydrate Crystal-Structures-Analysis of Neutron-Diffraction Data J. Am. Chem. Soc. 1992, 114, 10146-10154
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 10146-10154
-
-
Steiner, T.1
Saenger, W.2
-
51
-
-
0034697472
-
Weak Hydrogen Bonds: Theoretical Studies
-
Calhorda, M. J. Weak Hydrogen Bonds: Theoretical Studies Chem. Commun. 2000, 801-809
-
(2000)
Chem. Commun.
, pp. 801-809
-
-
Calhorda, M.J.1
-
52
-
-
0004592759
-
Characterization of C-H-O Hydrogen-Bonds on the Basis of the Charge-Density
-
Koch, U.; Popelier, P. L. A. Characterization of C-H-O Hydrogen-Bonds on the Basis of the Charge-Density J. Phys. Chem. 1995, 99, 9747-9754
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 9747-9754
-
-
Koch, U.1
Popelier, P.L.A.2
-
53
-
-
1842763826
-
Unrolling the Hydrogen Bond Properties of C-H Center Dot Center Dot Center Dot O Interactions
-
Steiner, T. Unrolling the Hydrogen Bond Properties of C-H Center Dot Center Dot Center Dot O Interactions Chem. Commun. 1997, 727-734
-
(1997)
Chem. Commun.
, pp. 727-734
-
-
Steiner, T.1
-
54
-
-
33845554708
-
Crystallographic Evidence for the Existence of C-H.O, C-H.N, and C-H.C1 Hydrogen-Bonds
-
Taylor, R.; Kennard, O. Crystallographic Evidence for the Existence of C-H...O, C-H...N, and C-H...C1 Hydrogen-Bonds J. Am. Chem. Soc. 1982, 104, 5063-5070
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 5063-5070
-
-
Taylor, R.1
Kennard, O.2
-
56
-
-
0036324787
-
The cellulose SolventSsystem N,N-Dimethylacetamide/Lithium Chloride Revisited: The Effect of Water on Physicochemical Properties and Chemical Stability
-
Potthast, A.; Rosenau, T.; Buchner, R.; Roder, T.; Ebner, G.; Bruglachner, H.; Sixta, H.; Kosma, P. The cellulose SolventSsystem N,N-Dimethylacetamide/Lithium Chloride Revisited: The Effect of Water on Physicochemical Properties and Chemical Stability Cellulose 2002, 9, 41-53
-
(2002)
Cellulose
, vol.9
, pp. 41-53
-
-
Potthast, A.1
Rosenau, T.2
Buchner, R.3
Roder, T.4
Ebner, G.5
Bruglachner, H.6
Sixta, H.7
Kosma, P.8
-
57
-
-
32544457989
-
Halogen Acceptors in Hydrogen Bonding
-
Kovacs, A.; Varga, Z. Halogen Acceptors in Hydrogen Bonding Coord. Chem. Rev. 2006, 250, 710-727
-
(2006)
Coord. Chem. Rev.
, vol.250
, pp. 710-727
-
-
Kovacs, A.1
Varga, Z.2
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