-
1
-
-
47249122135
-
A Universal approach to solvation modeling.
-
Cramer, C. J.; Truhlar, D. G. A Universal Approach to Solvation Modeling. Acc. Chem. Res. 2008, 41, 760-768.
-
(2008)
Acc. Chem. Res.
, vol.41
, pp. 760-768
-
-
Cramer, C.J.1
Truhlar, D.G.2
-
2
-
-
66249129270
-
On the performance of continuum solvation methods. a comment on "Universal approaches to solvation modeling".
-
Klamt, A.; Mennucci, B.; Tomasi, J.; Barone, V.; Curutchet, C.; Orozco, M.; Luque, F. J. On the Performance of Continuum Solvation Methods. A Comment on "Universal Approaches to Solvation Modeling". Acc. Chem. Res. 2009, 42, 489-492.
-
(2009)
Acc. Chem. Res.
, vol.42
, pp. 489-492
-
-
Klamt, A.1
Mennucci, B.2
Tomasi, J.3
Barone, V.4
Curutchet, C.5
Orozco, M.6
Luque, F.J.7
-
3
-
-
0001267117
-
A Universal Organic Solvation Model
-
Giesen, D. J.; Gu, M. Z.; Cramer, C. J.; Truhlar, D. G. A Universal Organic Solvation Model. J. Org. Chem. 1996, 61, 8720-8721. (Pubitemid 127745089)
-
(1996)
Journal of Organic Chemistry
, vol.61
, Issue.25
, pp. 8720-8721
-
-
Giesen, D.J.1
Gu, M.Z.2
Cramer, C.J.3
Truhlar, D.G.4
-
4
-
-
33748905333
-
Model for aqueous solvation based on class IV atomic charges and first solvation shell effects
-
Chambers, C. C.; Hawkins, G. D.; Cramer, C. J.; Truhlar, D. G. Model for Aqueous Solvation Based on Class IV Atomic Charges and First Solvation Shell Effects. J. Phys. Chem. 1996, 100, 16385-16398. (Pubitemid 126799389)
-
(1996)
Journal of Physical Chemistry
, vol.100
, Issue.40
, pp. 16385-16398
-
-
Chambers, C.C.1
Hawkins, G.D.2
Cramer, C.J.3
Truhlar, D.G.4
-
5
-
-
66449121445
-
SMx Continuum Models for Condensed Phases.
-
In Maroulis, G., Simos, T. E., Eds.; Lecture Series on Computer and Computational Sciences 6; Brill / VSP: Leiden
-
Cramer, C. J.; Truhlar, D. G. SMx Continuum Models for Condensed Phases. In Trends and Perspectives in Modern Computational Science; Maroulis, G., Simos, T. E., Eds.; Lecture Series on Computer and Computational Sciences 6; Brill / VSP: Leiden, 2006, pp 112-140.
-
(2006)
Trends and Perspectives in Modern Computational Science
, pp. 112-140
-
-
Cramer, C.J.1
Truhlar, D.G.2
-
6
-
-
84962385262
-
Selfconsistent reaction field model for aqueous and nonaqueous solutions based on accurate polarized partial charges.
-
Marenich, A. V.; Olson, R. M.; Kelly, C. P.; Cramer, C. J.; Truhlar, D. G. Selfconsistent Reaction Field Model for Aqueous and Nonaqueous Solutions Based on Accurate Polarized Partial Charges. J. Chem. Theory Comput. 2007, 3, 2011-2033.
-
(2007)
J. Chem. Theory Comput.
, vol.3
, pp. 2011-2033
-
-
Marenich, A.V.1
Olson, R.M.2
Kelly, C.P.3
Cramer, C.J.4
Truhlar, D.G.5
-
7
-
-
66349120487
-
Universal solvation model based on solute electron density and a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
-
in press (doi: 10.1021/jp810292n).
-
Marenich, A. V.; Cramer, C. J.; Truhlar, D. G. Universal Solvation Model Based on Solute Electron Density and a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions. J. Phys. Chem. B, in press (doi: 10.1021/jp810292n).
-
J. Phys. Chem. B
-
-
Marenich, A.V.1
Cramer, C.J.2
Truhlar, D.G.3
-
8
-
-
84962466419
-
-
version version 2008; University of Minnesota: Minneapolis, MN, See
-
Marenich, A. V.; Hawkins, G. D.; Liotard, D. A.; Cramer, C. J.; Truhlar, D. G. GESOL, version 2008; University of Minnesota: Minneapolis, MN, 2008. See http://comp. chem.umn.edu/gesol/.
-
(2008)
GESOL
, vol.2008
-
-
Marenich, A.V.1
Hawkins, G.D.2
Liotard, D.A.3
Cramer, C.J.4
Truhlar, D.G.5
-
9
-
-
84961981091
-
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
-
Cramer, C. J.; Truhlar, D. G. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics. Chem. Rev. 1999, 99, 2161-2200. (Pubitemid 129585183)
-
(1999)
Chemical Reviews
, vol.99
, Issue.8
, pp. 2161-2200
-
-
Cramer, C.J.1
Truhlar, D.G.2
-
10
-
-
0034314630
-
Theoretical methods for the description of the solvent effect on biomolecular systems.
-
Orozco, M.; Luque, F. J. Theoretical Methods for the Description of the Solvent Effect on Biomolecular Systems. Chem. Rev. 2000, 100, 4187-4225.
-
(2000)
Chem. Rev.
, vol.100
, pp. 4187-4225
-
-
Orozco, M.1
Luque, F.J.2
-
11
-
-
84961980477
-
Quantum mechanical continuum solvation models.
-
Tomasi, J.; Mennucci, B.; Cammi, R. Quantum Mechanical Continuum Solvation Models. Chem. Rev. 2005, 105, 2999-3093.
-
(2005)
Chem. Rev.
, vol.105
, pp. 2999-3093
-
-
Tomasi, J.1
Mennucci, B.2
Cammi, R.3
-
12
-
-
0031209054
-
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to Isotropic and anisotropic dielectrics
-
Cancés, E.; Mennucci, B.; Tomasi, J. A New Integral Equation Formalism for the Polarizable Continuum Model: Theoretical Background and Applications to Isotropic and Anisotropic Dielectrics. J. Chem. Phys. 1997, 107, 3032-3041. (Pubitemid 127568923)
-
(1997)
Journal of Chemical Physics
, vol.107
, Issue.8
, pp. 3032-3041
-
-
Cances, E.1
Mennucci, B.2
Tomasi, J.3
-
13
-
-
84946893847
-
Electrostatic interaction of a solute with a continuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects.
-
Miertus, S.; Scrocco, E.; Tomasi, J. Electrostatic Interaction of a Solute with a Continuum. A Direct Utilization of Ab Initio Molecular Potentials for the Prevision of Solvent Effects. Chem. Phys. 1981, 55, 117-129.
-
(1981)
Chem. Phys.
, vol.55
, pp. 117-129
-
-
Miertus, S.1
Scrocco, E.2
Tomasi, J.3
-
14
-
-
56149121319
-
Perspective on foundations of solvation modeling: The electrostatic contribution to the free energy of solvation.
-
Marenich, A. V.; Cramer, C. J.; Truhlar, D. G. Perspective on Foundations of Solvation Modeling: The Electrostatic Contribution to the Free Energy of Solvation. J. Chem. Theor. Comput. 2008, 4, 877-887.
-
(2008)
J. Chem. Theor. Comput.
, vol.4
, pp. 877-887
-
-
Marenich, A.V.1
Cramer, C.J.2
Truhlar, D.G.3
-
15
-
-
84962439423
-
Ruiz-ló pez, m. f.; rinaldi, d.; orozco, m.; luque, f. j. electrostatic component of solvation: comparison of scrf continuum models.
-
Curutchet, C.; Cramer, C. J.; Truhlar, D. G.; Ruiz-Lo' pez, M. F.; Rinaldi, D.; Orozco, M.; Luque, F. J. Electrostatic Component of Solvation: Comparison of SCRF Continuum Models. J. Comput. Chem. 2003, 24, 284-297.
-
(2003)
J. Comput. Chem.
, vol.24
, pp. 284-297
-
-
Curutchet, C.1
Cramer, C.J.2
Truhlar, D.G.3
-
16
-
-
84962345519
-
SM6: A density functional theory continuum solvation model for calculating aqueous solvation free energies of neutrals, ions, and solute-water clusters
-
Kelly, C. P.; Cramer, C. J.; Truhlar, D. G. SM6: A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute-Water ClustersJ. Chem. Theory Comput. 2005, 1, 1133-1152.
-
(2005)
J. Chem. Theory Comput.
, vol.1
, pp. 1133-1152
-
-
Kelly, C.P.1
Cramer, C.J.2
Truhlar, D.G.3
-
17
-
-
84961981991
-
A new definition of cavities for the computation of solvation free energies by the polarizable continuum model
-
Barone, V.; Cossi, M.; Tomasi, J. A New Definition of Cavities for the Computation of Solvation Free Energies by the Polarizable Continuum Model. J. Chem. Phys. 1997, 107, 3210-3221. (Pubitemid 127568937)
-
(1997)
Journal of Chemical Physics
, vol.107
, Issue.8
, pp. 3210-3221
-
-
Barone, V.1
Cossi, M.2
Tomasi, J.3
-
18
-
-
84962355982
-
Extension of the MST model to the IEF formalism: HF and B3LYP parametrizations.
-
Soteras, I.; Curutchet, C.; Bidon-Chanal, A.; Orozco, M.; Luque, F. J. Extension of the MST Model to the IEF Formalism: HF and B3LYP Parametrizations. J. Mol. Struct. (THEOCHEM) 2005, 727, 29-40.
-
(2005)
J. Mol. Struct. (THEOCHEM)
, vol.727
, pp. 29-40
-
-
Soteras, I.1
Curutchet, C.2
Bidon-Chanal, A.3
Orozco, M.4
Luque, F.J.5
-
19
-
-
0000221380
-
General parameterized SCF model for free energies of solvation in aqueous solution.
-
Cramer, C. J.; Truhlar, D. G. General Parameterized SCF Model for Free Energies of Solvation in Aqueous Solution. J. Am. Chem. Soc. 1991, 113, 8305-8311.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 8305-8311
-
-
Cramer, C.J.1
Truhlar, D.G.2
-
20
-
-
84986477837
-
Optimization of solute cavities and van der waals parameters in ab initio MST-SCRF calculations of neutral molecules.
-
Bachs, M.; Luque, F. J.; Orozco, M. Optimization of Solute Cavities and van der Waals Parameters in Ab Initio MST-SCRF Calculations of Neutral Molecules. J. Comput. Chem. 1994, 15, 446-454.
-
(1994)
J. Comput. Chem.
, vol.15
, pp. 446-454
-
-
Bachs, M.1
Luque, F.J.2
Orozco, M.3
-
21
-
-
84986492899
-
An optimized AM1/MST method for the MSTSCRF representation of solvated systems.
-
Luque, F. J.; Bachs, M.; Orozco, M. An Optimized AM1/MST Method for the MSTSCRF Representation of Solvated Systems. J. Comput. Chem. 1994, 15, 847-857.
-
(1994)
J. Comput. Chem.
, vol.15
, pp. 847-857
-
-
Luque, F.J.1
Bachs, M.2
Orozco, M.3
-
22
-
-
84986518879
-
Development of optimized MST/SCRF methods for semiempirical calculations: The MNDO and PM3 hamiltonians.
-
Orozco, M.; Bachs, M.; Luque, F. J. Development of Optimized MST/SCRF Methods for Semiempirical Calculations: The MNDO and PM3 Hamiltonians. J. Comput. Chem. 1995, 16, 563-575.
-
(1995)
J. Comput. Chem.
, vol.16
, pp. 563-575
-
-
Orozco, M.1
Bachs, M.2
Luque, F.J.3
-
23
-
-
0035425603
-
Solvation in Octanol: Parametrization of the continuum MST model.
-
Curutchet, C.; Orozco, M.; Luque, F. J. Solvation in Octanol: Parametrization of the Continuum MST Model. J. Comput. Chem. 2001, 22, 1180-1193.
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 1180-1193
-
-
Curutchet, C.1
Orozco, M.2
Luque, F.J.3
-
24
-
-
33748650102
-
Solvent effects in chloroform solution: Parametrization of the MST/SCRF continuum model
-
Luque, F. J.; Zhang, Y.; Alemán, C.; Bachs, M.; Gao, J.; Orozco, M. Solvent Effects in Chloroform Solution: Parameterization of the MST/SCRF Continuum Model. J. Phys. Chem. 1996, 100, 4269-4276. (Pubitemid 126793369)
-
(1996)
Journal of Physical Chemistry
, vol.100
, Issue.10
, pp. 4269-4276
-
-
Luque, F.J.1
Zhang, Y.2
Aleman, C.3
Bachs, M.4
Gao, J.5
Orozco, M.6
-
25
-
-
84962338805
-
4
-
Luque, F. J.; Alema' n, C.; Bachs, M.; Orozco, M. Extension of the MST/SCRF Method to Organic Solvents. Ab Initio and Semiempirical Parametrization for Neutral Solutes in CCl4. J. Comput. Chem. 1996, 17, 806-820. (Pubitemid 126579183)
-
(1996)
Journal of Computational Chemistry
, vol.17
, Issue.7
, pp. 806-820
-
-
Luque, F.J.1
Bachs, M.2
Aleman, C.3
Orozco, M.4
-
26
-
-
33751157014
-
A semiempirical quantum mechanical solvation model for solvation free energies in all alkane solvents.
-
Giesen, D. J.; Cramer, C. J.; Truhlar, D. G. A Semiempirical Quantum Mechanical Solvation Model for Solvation Free Energies in All Alkane Solvents. J. Phys. Chem. 1995, 99, 7137-7146.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 7137-7146
-
-
Giesen, D.J.1
Cramer, C.J.2
Truhlar, D.G.3
-
27
-
-
0000187318
-
A general semiempirical quantum mechanical solvation model for nonpolar solvation free energies.
-
Giesen, D. J.; Storer, J. W.; Cramer, C. J.; Truhlar, D. G. A General Semiempirical Quantum Mechanical Solvation Model for Nonpolar Solvation Free Energies. n- Hexadecane. J. Am. Chem. Soc. 1995, 117, 1057-1068.
-
(1995)
n- Hexadecane. J. Am. Chem. Soc.
, vol.117
, pp. 1057-1068
-
-
Giesen, D.J.1
Storer, J.W.2
Cramer, C.J.3
Truhlar, D.G.4
-
28
-
-
0031099030
-
Solvation model for chloroform based on class IV atomic charges
-
Giesen, D. J.; Chambers, C. C.; Cramer, C. J.; Truhlar, D. G. Solvation Model for Chloroform Based on Class IV Atomic Charges. J. Phys. Chem. B 1997, 101, 2061-2069. (Pubitemid 127609244)
-
(1997)
Journal of Physical Chemistry B
, vol.101
, Issue.11
, pp. 2061-2069
-
-
Giesen, D.J.1
Chambers, C.C.2
Cramer, C.J.3
Truhlar, D.G.4
-
29
-
-
0001057001
-
Universal quantum mechanical model for solvation free energies based on gas-phase geometries
-
Hawkins, G. D.; Cramer, C. J.; Truhlar, D. G. Universal Quantum Mechanical Model for Solvation Free Energies Based on Gas-Phase Geometries. J. Phys. Chem. B 1998, 102, 3257-3271. (Pubitemid 128576647)
-
(1998)
Journal of Physical Chemistry B
, vol.102
, Issue.17
, pp. 3257-3271
-
-
Hawkins, G.D.1
Cramer, C.J.2
Truhlar, D.G.3
-
30
-
-
84962424501
-
Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model
-
DOI 10.1002/jcc.20480
-
Curutchet, C.; Orozco, M.; Luque, F. J.; Mennucci, B.; Tomasi, J. Dispersion and Repulsion Contributions to the Solvation Free Energy: Comparison of Quantum Mechanical and Classical Approaches in the Polarizable Continuum Model. J. Comput. Chem. 2006, 27, 1769-1780. (Pubitemid 44672560)
-
(2006)
Journal of Computational Chemistry
, vol.27
, Issue.15
, pp. 1769-1780
-
-
Curutchet, C.1
Orozco, M.2
Luque, F.J.3
Mennucci, B.4
Tomasi, J.5
-
31
-
-
0031552979
-
Parametrized model for aqueous free energies of solvation using geometry-dependent atomic surface tensions with implicit electrostatics
-
Hawkins, G. D.; Cramer, C. J.; Truhlar, D. G. Parameterized Model for Aqueous Free Energies of Solvation using Geometry-dependent Atomic Surface Tensions with Implicit Electrostatics. J. Phys. Chem. B 1997, 101, 7147-7157. (Pubitemid 127611958)
-
(1997)
Journal of Physical Chemistry B
, vol.101
, Issue.36
, pp. 7147-7157
-
-
Hawkins, G.D.1
Cramer, C.J.2
Truhlar, D.G.3
-
32
-
-
84961985278
-
OMNISOL: Fast Prediction of Free Energies of Solvation and Partition Coefficients
-
Hawkins, G. D.; Liotard, D. A.; Cramer, C. J.; Truhlar, D. G. OMNISOL: Fast Prediction of Free Energies of Solvation and Partition Coefficients. J. Org. Chem. 1998, 63, 4305-4313. (Pubitemid 128499967)
-
(1998)
Journal of Organic Chemistry
, vol.63
, Issue.13
, pp. 4305-4313
-
-
Hawkins, G.D.1
Liotard, D.A.2
Cramer, C.J.3
Truhlar, D.G.4
-
33
-
-
84961976132
-
Aqueous solvation free energies of ions and ion-water clusters based on an accurate value for the absolute aqueous solvation free energy of the proton
-
DOI 10.1021/jp063552y
-
Kelly, C. P.; Cramer, C. J.; Truhlar, D. G. Aqueous Solvation Free Energies of Ions and Ion-Water Clusters Based on An Accurate Value for the Absolute Aqueous Solvation Free Energy of the Proton. J. Phys. Chem. B 2006, 110, 16066-16081. (Pubitemid 44366386)
-
(2006)
Journal of Physical Chemistry B
, vol.110
, Issue.32
, pp. 16066-16081
-
-
Kelly, C.P.1
Cramer, C.J.2
Truhlar, D.G.3
-
34
-
-
33847100452
-
Single-ion solvation free energies and the normal hydrogen electrode potential in methanol, acetonitrile, and dimethyl sulfoxide
-
DOI 10.1021/jp0654031
-
Kelly, C. P.; Cramer, C. J.; Truhlar, D. G. Single-Ion Solvation Free Energies and the Normal Hydrogen Electrode Potential in Methanol, Acetonitrile, And Dimethyl Sulfoxide. J. Phys. Chem. B 2007, 111, 408-422. (Pubitemid 46278972)
-
(2007)
Journal of Physical Chemistry B
, vol.111
, Issue.2
, pp. 408-422
-
-
Kelly, C.P.1
Cramer, C.J.2
Truhlar, D.G.3
-
35
-
-
84961980743
-
COSMO: A new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient.
-
Klamt, A.; Schü ü rmann, G. COSMO: A New Approach to Dielectric Screening in Solvents with Explicit Expressions for the Screening Energy and its Gradient. J. Chem. Soc., Perkin Trans. 1993, 2, 799-805.
-
(1993)
J. Chem. Soc., Perkin Trans.
, vol.2
, pp. 799-805
-
-
Klamt, A.1
Schüürmann, G.2
-
36
-
-
84962359353
-
Optimized atomic radii for quantum continuum solvation models.
-
Stefanovich, E. V.; Truong, T. N. Optimized Atomic Radii for Quantum Continuum Solvation Models. Chem. Phys. Lett. 1995, 244, 65-74.
-
(1995)
Chem. Phys. Lett.
, vol.244
, pp. 65-74
-
-
Stefanovich, E.V.1
Truong, T.N.2
-
37
-
-
33751157086
-
Conductorlike screening model for real solvents: A new approach to the quantitative calculation of solvation phenomena
-
Klamt, A. Conductorlike Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena. J. Phys. Chem. 1995, 99, 2224-2235.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 2224-2235
-
-
Klamt, A.1
-
38
-
-
0000304948
-
Accurate first principles calculation of molecular charge distributions and solvation energies from ab initio quantum mechanics and continuum dielectric theory.
-
Tannor, D. J.; Marten, B.; Murphy, R.; Friesner, R. A.; Sitkoff, D.; Nicholls, A.; Ringnalda, M.; Goddard, W. A.; Honig, B. Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory. J. Am. Chem. Soc. 1994, 116, 11875-11882.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 11875-11882
-
-
Tannor, D.J.1
Marten, B.2
Murphy, R.3
Friesner, R.A.4
Sitkoff, D.5
Nicholls, A.6
Ringnalda, M.7
Goddard, W.A.8
Honig, B.9
-
39
-
-
0030180875
-
New model for calculation of solvation free energies: Correction of self-consistent reaction field continuum dielectric theory for short-range hydrogen-bonding effects
-
Marten, B.; Kim, K.; Cortis, C.; Friesner, R. A.; Murphy, R. B.; Ringnalda, M. N.; Sitkoff, D.; Honig, B. New Model for Calculation of Solvation Free Energies: Correction of Self-Consistent Reaction Field Continuum Dielectric Theory for Short-Range Hydrogen- Bonding Effects. J. Phys. Chem. 1996, 100, 11775-11788. (Pubitemid 126788600)
-
(1996)
Journal of Physical Chemistry
, vol.100
, Issue.28
, pp. 11775-11788
-
-
Marten, B.1
Kim, K.2
Cortis, C.3
Friesner, R.A.4
Murphy, R.B.5
Ringnalda, M.N.6
Sitkoff, D.7
Honig, B.8
-
40
-
-
0033269427
-
Extension of the platform of applicability of the SM5.42R Universal solvation model.
-
Li, J.; Zhu, T.; Hawkins, G. D.; Winget, P.; Liotard, D. A.; Cramer, C. J.; Truhlar, D. G. Extension of the Platform of Applicability of the SM5.42R Universal Solvation Model. Theor. Chem. Acc. 1999, 103, 9-63.
-
(1999)
Theor. Chem. Acc.
, vol.103
, pp. 9-63
-
-
Li, J.1
Zhu, T.2
Hawkins, G.D.3
Winget, P.4
Liotard, D.A.5
Cramer, C.J.6
Truhlar, D.G.7
-
41
-
-
84962424862
-
New Universal solvation model and comparison of the accuracy of the SM5.42R, SM5.43R, C-PCM, D-PCM, and IEFPCM continuum solvation models for aqueous and organic solvation free energies and for vapor pressures.
-
Thompson, J. D.; Cramer, C. J.; Truhlar, D. G. New Universal Solvation Model and Comparison of the Accuracy of the SM5.42R, SM5.43R, C-PCM, D-PCM, and IEFPCM Continuum Solvation Models for Aqueous and Organic Solvation Free Energies and for Vapor Pressures. J. Phys. Chem. A 2004, 108, 6532-6542.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 6532-6542
-
-
Thompson, J.D.1
Cramer, C.J.2
Truhlar, D.G.3
-
42
-
-
84962469019
-
Density-functional theory and hybrid density-functional theory continuum solvation models for aqueous and organic solvents: Universal SM5.43 and SM5.43R solvation models for any fraction of Hartree-Fock exchange
-
DOI 10.1007/s00214-004-0614-z
-
Thompson, J. D.; Cramer, C. J.; Truhlar, D. G. Density-Functional Theory and Hybrid Density-Functional Theory Continuum Solvation Models for Aqueous and Organic Solvents: Universal SM5.43 and SM5.43R Solvation Models for Any Fraction of Hartree-Fock Exchange. Theor. Chem. Acc. 2005, 113, 107-131. (Pubitemid 40500910)
-
(2005)
Theoretical Chemistry Accounts
, vol.113
, Issue.2
, pp. 107-131
-
-
Thompson, J.D.1
Cramer, C.J.2
Truhlar, D.G.3
-
43
-
-
0003194170
-
A Universal solvation model based on the conductor-like screening model.
-
Dolney, D. M.; Hawkins, G. D.; Winget, P.; Liotard, D. A.; Cramer, C. J.; Truhlar, D. G. A Universal Solvation Model Based on the Conductor-like Screening Model. J. Comput. Chem. 2000, 21, 340-366.
-
(2000)
J. Comput. Chem.
, vol.21
, pp. 340-366
-
-
Dolney, D.M.1
Hawkins, G.D.2
Winget, P.3
Liotard, D.A.4
Cramer, C.J.5
Truhlar, D.G.6
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