-
1
-
-
84890021933
-
The Calculation of Small Molecular Interactions by the Differences of Separate Total Energies. Some Procedures with Reduced Errors
-
Boys, S. F., and F. Bernardi, "The Calculation of Small Molecular Interactions by the Differences of Separate Total Energies. Some Procedures with Reduced Errors," Mol. Phys., 19, 4 (1970).
-
(1970)
Mol. Phys.
, vol.19
, pp. 4
-
-
Boys, S.F.1
Bernardi, F.2
-
2
-
-
0003509086
-
-
Wiley, New York
-
Christensen, J. J., R. W. Hanks, and R. M. Izatt, Handbook of Heats of Mixing, Wiley, New York (1982).
-
(1982)
Handbook of Heats of Mixing
-
-
Christensen, J.J.1
Hanks, R.W.2
Izatt, R.M.3
-
3
-
-
0029221143
-
Hydrogen Bonded Polymer Blends
-
Coleman, M. M., and P. C. Painter, "Hydrogen Bonded Polymer Blends," Prog. in Poly. Sci., 20, 1 (1995).
-
(1995)
Prog. in Poly. Sci.
, vol.20
, pp. 1
-
-
Coleman, M.M.1
Painter, P.C.2
-
4
-
-
0025460743
-
A Practical Guide to Polymer Miscibility
-
Coleman, M. M., C. J. Serman, D. E. Bhagwagar, and P. C. Painter, "A Practical Guide to Polymer Miscibility," Polymer, 31, 1187 (1990).
-
(1990)
Polymer
, vol.31
, pp. 1187
-
-
Coleman, M.M.1
Serman, C.J.2
Bhagwagar, D.E.3
Painter, P.C.4
-
5
-
-
0003445457
-
Data Compilation Table of Properties of Pure Compounds
-
Daubert, T. E., and R. P. Danner, "Data Compilation Table of Properties of Pure Compounds," AIChE Symp. Ser., No. 203, Vol. 75 (1990).
-
(1990)
AIChE Symp. Ser.
, vol.75
, Issue.203
-
-
Daubert, T.E.1
Danner, R.P.2
-
6
-
-
0000803847
-
Intermolecular Energies of Small Water Polymers
-
Del Bene, J., and J. A. Pople, "Intermolecular Energies of Small Water Polymers," Chem. Phys. Lett., 4, 426 (1969).
-
(1969)
Chem. Phys. Lett.
, vol.4
, pp. 426
-
-
Del Bene, J.1
Pople, J.A.2
-
7
-
-
0026383670
-
Chemical, Quasi-Chemical and Perturbation Theories for Associating Fluids
-
Economou, I. G., and M. D. Donohue, "Chemical, Quasi-Chemical and Perturbation Theories for Associating Fluids," AIChE J., 37, 1875 (1991).
-
(1991)
AIChE J.
, vol.37
, pp. 1875
-
-
Economou, I.G.1
Donohue, M.D.2
-
8
-
-
2542436054
-
Structural Aspects of Ion-Solvent Interaction in Aqueous Solutions-Water Structure
-
Frank, H. S., and W.-Y. Wen, "Structural Aspects of Ion-Solvent Interaction in Aqueous Solutions-Water Structure," Discuss. Faraday Soc., 24, 133 (1957).
-
(1957)
Discuss. Faraday Soc.
, vol.24
, pp. 133
-
-
Frank, H.S.1
Wen, W.-Y.2
-
9
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
Gaussian 98, Revision E.3, M. J. G. Frisch, W. Trucks, H. B. Schegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, eds., Gaussian, Inc., Pittsburgh, PA (1995).
-
(1995)
Gaussian 98, Revision E.3
-
-
Frisch, M.J.G.1
Trucks, W.2
Schegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
10
-
-
33845471696
-
Vibrational Frequency Shifts in Hydrogen-Bonded Systems: The Hydrogen Fluoride Dimer and Trimer
-
Gaw, J. F., Y. Yamaguchi, M. A. Vincent, and H. F. Schaefer III, "Vibrational Frequency Shifts in Hydrogen-Bonded Systems: The Hydrogen Fluoride Dimer and Trimer, J. Amer. Chem. Soc., 106, 3133 (1984).
-
(1984)
J. Amer. Chem. Soc.
, vol.106
, pp. 3133
-
-
Gaw, J.F.1
Yamaguchi, Y.2
Vincent, M.A.3
Schaefer III, H.F.4
-
11
-
-
0031697485
-
Hydrogen-Bond Cooperativity in 1-Alkanol + n-Alkane Binary Mixtures
-
Gupta, R. B., and R. L. Brinkley, "Hydrogen-Bond Cooperativity in 1-Alkanol + n-Alkane Binary Mixtures," AIChE J., 44, 207 (1998).
-
(1998)
AIChE J.
, vol.44
, pp. 207
-
-
Gupta, R.B.1
Brinkley, R.L.2
-
12
-
-
0026906180
-
Theory of Hydrogen Bonding in Supercritical Fluids
-
Gupta, R. B., C. Panayiotou, I. C. Sanchez, and K. P. Johnston, "Theory of Hydrogen Bonding in Supercritical Fluids," AIChE J., 38, 1243 (1992).
-
(1992)
AIChE J.
, vol.38
, pp. 1243
-
-
Gupta, R.B.1
Panayiotou, C.2
Sanchez, I.C.3
Johnston, K.P.4
-
13
-
-
0028480407
-
Hydrogen Bonding Lattice Fluid Model with a Local Segment Density
-
Gupta, R. B., and K. P. Johnston, "Hydrogen Bonding Lattice Fluid Model with a Local Segment Density," Fluid Phase Equil., 99, 135 (1994).
-
(1994)
Fluid Phase Equil.
, vol.99
, pp. 135
-
-
Gupta, R.B.1
Johnston, K.P.2
-
14
-
-
4043077818
-
Hydrogen-Bond Energy Nonadditivity in Water
-
Hankins, D., J. W. Moskowitz, and F. H. Stillinger, "Hydrogen-Bond Energy Nonadditivity in Water," Chem. Phys. Lett., 4, 527 (1970).
-
(1970)
Chem. Phys. Lett.
, vol.4
, pp. 527
-
-
Hankins, D.1
Moskowitz, J.W.2
Stillinger, F.H.3
-
15
-
-
0000700227
-
Van der Waals-type Equation of State for Fluids with Associating Molecules
-
Heidemann, R. A., and J. M. Prausnitz, "Van der Waals-type Equation of State for Fluids with Associating Molecules," Proc. Nat. Acad. Sci. USA, 73, 1773 (1976).
-
(1976)
Proc. Nat. Acad. Sci. USA
, vol.73
, pp. 1773
-
-
Heidemann, R.A.1
Prausnitz, J.M.2
-
16
-
-
0025517266
-
Equation of State for Small, Large, Polydispersed, and Associating Molecules
-
Huang, S. H., and M. Radoz, "Equation of State for Small, Large, Polydispersed, and Associating Molecules," Ind. Eng. Chem. Res., 29, 2284 (1990).
-
(1990)
Ind. Eng. Chem. Res.
, vol.29
, pp. 2284
-
-
Huang, S.H.1
Radoz, M.2
-
17
-
-
0026207261
-
Equation of State for Small, Large, Polydispersed, and Associating Molecules: Extension to Fluid Mixtures
-
Huang, S. H., and M. Radoz, "Equation of State for Small, Large, Polydispersed, and Associating Molecules: Extension to Fluid Mixtures," Ind. Eng. Chem. Res., 30, 1994 (1991).
-
(1991)
Ind. Eng. Chem. Res.
, vol.30
, pp. 1994
-
-
Huang, S.H.1
Radoz, M.2
-
18
-
-
85021840746
-
Equation of State for Small, Large, Polydispersed, and Associating Molecules: Extension to Fluid Mixtures
-
Huang, S. H., and M. Radoz, "Equation of State for Small, Large, Polydispersed, and Associating Molecules: Extension to Fluid Mixtures," (Additions and Corrections), Ind. Eng. Chem. Res., 32, 762 (1993).
-
(1993)
Ind. Eng. Chem. Res.
, vol.32
, pp. 762
-
-
Huang, S.H.1
Radoz, M.2
-
19
-
-
0000256913
-
Factors Governing the Influence of a First Hydrogen Bond on the Formation of a Second One by the Same Molecule or Ion
-
Huyskens, P. L., "Factors Governing the Influence of a First Hydrogen Bond on the Formation of a Second One by the Same Molecule or Ion," J. Amer. Chem. Soc., 99, 2578 (1977).
-
(1977)
J. Amer. Chem. Soc.
, vol.99
, pp. 2578
-
-
Huyskens, P.L.1
-
20
-
-
0003993783
-
-
Springer-Verlag, Berlin
-
Huyskens, P. L., W. A. P. Luck, and Th. Zeegers-Huyskens, eds., Intermolecular Forces. An Introduction to Modern Methods and Results, Springer-Verlag, Berlin (1991).
-
(1991)
Intermolecular Forces. An Introduction to Modern Methods and Results
-
-
Huyskens, P.L.1
Luck, W.A.P.2
Zeegers-Huyskens, Th.3
-
21
-
-
0024621636
-
A Study of Hydrogen Bonding in Alcohol Solutions Using NMR Spectroscopy
-
Karachewski, A. M., M. M. McNiel, and C. A. Eckert, "A Study of Hydrogen Bonding in Alcohol Solutions Using NMR Spectroscopy," Ind. Eng. Chem. Res., 28, 315 (1989).
-
(1989)
Ind. Eng. Chem. Res.
, vol.28
, pp. 315
-
-
Karachewski, A.M.1
McNiel, M.M.2
Eckert, C.A.3
-
22
-
-
0025842410
-
Development of the AVEC Model for Associating Mixtures Using NMR Spectroscopy
-
Karachewski, A. M., W. J. Howell, and C. A. Eckert, "Development of the AVEC Model for Associating Mixtures Using NMR Spectroscopy," AIChE J., 37, 65 (1991).
-
(1991)
AIChE J.
, vol.37
, pp. 65
-
-
Karachewski, A.M.1
Howell, W.J.2
Eckert, C.A.3
-
23
-
-
0000637827
-
Quantitative Infrared Spectroscopic Investigations of Hydrogen-Bond Cooperativity
-
Kleeberg, H., D. Klein, and W. A. P. Luck, "Quantitative Infrared Spectroscopic Investigations of Hydrogen-Bond Cooperativity," J. Phys. Chem., 91, 3200 (1987).
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 3200
-
-
Kleeberg, H.1
Klein, D.2
Luck, W.A.P.3
-
24
-
-
0003993783
-
-
P. L. Huyskens, W. A. P. Luck, and Th. Zeegers-Huyskens, eds., Springer-Verlag, Berlin
-
Kleeberg, H., Intermolecular Forces. An Introduction to Modern Methods and Results, P. L. Huyskens, W. A. P. Luck, and Th. Zeegers-Huyskens, eds., Springer-Verlag, Berlin, pp. 251-280 (1991).
-
(1991)
Intermolecular Forces. An Introduction to Modern Methods and Results
, pp. 251-280
-
-
Kleeberg, H.1
-
25
-
-
0027542637
-
Thermodynamic and Structural Properties of Methanol-Water Mixtures: Experiment, Theory and Molecular Simulation
-
Koh, C. A., H. Tanaka, J. M. Walsh, K. E. Gubbins, and J. A. Zollweg, "Thermodynamic and Structural Properties of Methanol-Water Mixtures: Experiment, Theory and Molecular Simulation," Fluid Phase Equil, 83, 51 (1993).
-
(1993)
Fluid Phase Equil.
, vol.83
, pp. 51
-
-
Koh, C.A.1
Tanaka, H.2
Walsh, J.M.3
Gubbins, K.E.4
Zollweg, J.A.5
-
26
-
-
0000073766
-
Hydrogen Bonded Dimers and Polymers Involving Hydrogen Fluoride, Water, and Ammonia
-
Kollman, P. A., and L. C. Allen, "Hydrogen Bonded Dimers and Polymers Involving Hydrogen Fluoride, Water, and Ammonia," J. Amer. Chem. Soc., 92, 753 (1970).
-
(1970)
J. Amer. Chem. Soc.
, vol.92
, pp. 753
-
-
Kollman, P.A.1
Allen, L.C.2
-
27
-
-
33847088980
-
A General Analysis of Noncovalent Intermolecular Interactions
-
Kollman, P., "A General Analysis of Noncovalent Intermolecular Interactions," J. Amer. Chem. Soc., 99, 4875 (1977).
-
(1977)
J. Amer. Chem. Soc.
, vol.99
, pp. 4875
-
-
Kollman, P.1
-
29
-
-
3342918239
-
Elementary Molecular Theory of Classical Fluids 2. Statistical Thermodynamics of Fluid Mixtures
-
Lacombe, R. H., and I. C. Sanchez, "Elementary Molecular Theory of Classical Fluids 2. Statistical Thermodynamics of Fluid Mixtures." J. Phys. Chem., 80, 2568 (1976).
-
(1976)
J. Phys. Chem.
, vol.80
, pp. 2568
-
-
Lacombe, R.H.1
Sanchez, I.C.2
-
30
-
-
0002161241
-
A Model of Hydrogen-Bonded Liquid
-
Luck, W. A. P., "A Model of Hydrogen-Bonded Liquid," Angew. Chem. Int. ed. Engl, 19, 28 (1980).
-
(1980)
Angew. Chem. Int. Ed. Engl.
, vol.19
, pp. 28
-
-
Luck, W.A.P.1
-
31
-
-
0001072386
-
Hydrogen Bond Cooperativity. A Quantitative Study Using Matrix-Isolation FT-IR Spectroscopy
-
Maes, G., and J. Smets, "Hydrogen Bond Cooperativity. A Quantitative Study Using Matrix-Isolation FT-IR Spectroscopy," J. Phys. Chem., 97, 1818 (1993).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 1818
-
-
Maes, G.1
Smets, J.2
-
32
-
-
0003993783
-
-
P. L. Huyskens, W. A. P. Luck, Th. Zeegers-Huysens, eds., Springer-Verlag, Berlin
-
Maes, G, Intermolecular Forces. An Introduction to Modern Methods and Results, P. L. Huyskens, W. A. P. Luck, Th. Zeegers-Huysens, eds., Springer-Verlag, Berlin, pp. 195-216 (1991).
-
(1991)
Intermolecular Forces. An Introduction to Modern Methods and Results
, pp. 195-216
-
-
Maes, G.1
-
33
-
-
0003044963
-
Thermodynamics of System of (Oxy)alcohols and (Poly)ethers
-
Missopolinou, D., and C. Panayiotou, "Thermodynamics of System of (Oxy)alcohols and (Poly)ethers," Fluid Phase Equilibria, 110, 73 (1995).
-
(1995)
Fluid Phase Equilibria
, vol.110
, pp. 73
-
-
Missopolinou, D.1
Panayiotou, C.2
-
34
-
-
0001754998
-
Hydrogen-Bonding Cooperativity and Competing Inter-Intramolecular Associations: A Unified Approach
-
Missopolinou, D., and C. Panayiotou, "Hydrogen-Bonding Cooperativity and Competing Inter-Intramolecular Associations: A Unified Approach," J. Phys. Chem. A., 102, 3574 (1998).
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 3574
-
-
Missopolinou, D.1
Panayiotou, C.2
-
35
-
-
0001300747
-
Hydrogen Bonding in Fluids: An Equation of State Approach
-
Panayiotou, C., and I. C. Sanchez, "Hydrogen Bonding in Fluids: An Equation of State Approach," J. Phys. Chem., 95, 10090 (1991).
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 10090
-
-
Panayiotou, C.1
Sanchez, I.C.2
-
36
-
-
0024013906
-
Thermodynamics of Alkanol-Alkane Mixtures
-
Panayiotou, C., "Thermodynamics of Alkanol-Alkane Mixtures," J. Phys. Chem., 92, 2960 (1988).
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 2960
-
-
Panayiotou, C.1
-
37
-
-
0003547273
-
-
Chap. 5, Prentice-Hall, Englewood Cliffs, NJ
-
Prausnitz, J. M., R. N. Lichlenthater, and E. G. de Azevedo, Molecular Thermodynamics of Fluid Phase Equilibria, 2nd ed., Chap. 5, Prentice-Hall, Englewood Cliffs, NJ (1986).
-
(1986)
Molecular Thermodynamics of Fluid Phase Equilibria, 2nd Ed.
-
-
Prausnitz, J.M.1
Lichlenthater, R.N.2
De Azevedo, E.G.3
-
38
-
-
0001020676
-
Elementary Molecular theory of Classical Fluids. Pure Fluids
-
Sanchez, I. C., and R. H. Lacombe, "Elementary Molecular theory of Classical Fluids. Pure Fluids," J. Phys. Chem., 80, 2352 (1976).
-
(1976)
J. Phys. Chem.
, vol.80
, pp. 2352
-
-
Sanchez, I.C.1
Lacombe, R.H.2
-
39
-
-
36549094596
-
Hydrogen-bond Cooperativity in Simulated Water: Time Dependence Analysis of Pair Interaction
-
Sciortino, F., and S. L. Fornili, "Hydrogen-bond Cooperativity in Simulated Water: Time Dependence Analysis of Pair Interaction," J. Chem. Phys., 90(5), 2786 (1989).
-
(1989)
J. Chem. Phys.
, vol.90
, Issue.5
, pp. 2786
-
-
Sciortino, F.1
Fornili, S.L.2
-
40
-
-
0000826938
-
Thermodynamic Perturbation Theory for Association with Bond Cooperativity
-
Sear, R. P., and G. Jackson, "Thermodynamic Perturbation Theory for Association with Bond Cooperativity," J. Chem. Phys., 105(3), 1113 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, Issue.3
, pp. 1113
-
-
Sear, R.P.1
Jackson, G.2
-
41
-
-
0003082546
-
Infrared Studies of Hydrogen Bonding Methanol by Matrix Isolation Technique
-
Van Thiel, M., E. D. Becker, and G. C. Pimentel, "Infrared Studies of Hydrogen Bonding Methanol by Matrix Isolation Technique," J. Chem. Phys., 27(1), 95 (1957).
-
(1957)
J. Chem. Phys.
, vol.27
, Issue.1
, pp. 95
-
-
Van Thiel, M.1
Becker, E.D.2
Pimentel, G.C.3
-
42
-
-
33750024196
-
Are Lattice Models Valid for Fluids with Hydrogen Bonds?
-
Veytsman, B. A., "Are Lattice Models Valid for Fluids with Hydrogen Bonds?," J. Phys. Chem., 94, 8499 (1990).
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 8499
-
-
Veytsman, B.A.1
-
43
-
-
0001128422
-
Thermodynamics of Hydrogen-Bonded Fluids: Effects of Bond Cooperativity
-
Veytsman, B. A., "Thermodynamics of Hydrogen-Bonded Fluids: Effects of Bond Cooperativity," J. Phys. Chem., 97, 7144 (1993).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 7144
-
-
Veytsman, B.A.1
-
44
-
-
84951384901
-
Hydrogen Bonding Competition in Entrainer Cosolvent Mixtures
-
Walsh, J. M., M. L. Greenfield, G. D. Ikonomou, and M. D. Donohue," Hydrogen Bonding Competition in Entrainer Cosolvent Mixtures," Chem. Eng. Comm., 86, 125 (1989).
-
(1989)
Chem. Eng. Comm.
, vol.86
, pp. 125
-
-
Walsh, J.M.1
Greenfield, M.L.2
Ikonomou, G.D.3
Donohue, M.D.4
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