-
1
-
-
0026614974
-
Sulfide as an environmental factor and toxicant: Tolerance and adaptations in aquatic organisms
-
Bagarinao, T. Sulfide as an environmental factor and toxicant: Tolerance and adaptations in aquatic organisms Aquatic Toxicol. 1992, 24, 21-62
-
(1992)
Aquatic Toxicol.
, vol.24
, pp. 21-62
-
-
Bagarinao, T.1
-
2
-
-
0026642309
-
Toxicology of hydrogen sulfide
-
Reiffenstein, R. J.; Hulbert, W. C.; Roth, S. H. Toxicology of hydrogen sulfide Annu. Rev. Pharmacol. Toxicol. 1992, 32, 109-134
-
(1992)
Annu. Rev. Pharmacol. Toxicol.
, vol.32
, pp. 109-134
-
-
Reiffenstein, R.J.1
Hulbert, W.C.2
Roth, S.H.3
-
4
-
-
79951980126
-
Hydrogen sulfide and cell signaling
-
Li, L.; Rose, P.; Moore, P. K. Hydrogen sulfide and cell signaling Annu. Rev. Pharmacol. Toxicol. 2011, 51, 169-187
-
(2011)
Annu. Rev. Pharmacol. Toxicol.
, vol.51
, pp. 169-187
-
-
Li, L.1
Rose, P.2
Moore, P.K.3
-
5
-
-
2442545593
-
Site-site pair correlation functions of water from 25 to 400 °c: Revised analysis of new and old diffraction data
-
Soper, A. K.; Bruni, F.; Ricci, M. A. Site-site pair correlation functions of water from 25 to 400 °C: Revised analysis of new and old diffraction data J. Chem. Phys. 1997, 106, 247-254
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 247-254
-
-
Soper, A.K.1
Bruni, F.2
Ricci, M.A.3
-
6
-
-
0001383441
-
Orientational correlations in liquid hydrogen sulphide
-
Santoli, G.; Bruni, F.; Ricci, F. P.; Ricci, M. A.; Soper, A. K. Orientational correlations in liquid hydrogen sulphide Mol. Phys. 1999, 97, 777-786
-
(1999)
Mol. Phys.
, vol.97
, pp. 777-786
-
-
Santoli, G.1
Bruni, F.2
Ricci, F.P.3
Ricci, M.A.4
Soper, A.K.5
-
7
-
-
0000476749
-
Deuterium and hydrogen sulfides: Vapor pressures, molar volumes, and thermodynamic properties
-
Clarke, E. C. W.; Glew, D. N. Deuterium and hydrogen sulfides: Vapor pressures, molar volumes, and thermodynamic properties Can. J. Chem. 1970, 48, 764-775
-
(1970)
Can. J. Chem.
, vol.48
, pp. 764-775
-
-
Clarke, E.C.W.1
Glew, D.N.2
-
8
-
-
0035802190
-
Densities of toluene, carbon dioxide, carbonyl sulfide, and hydrogen sulfide over a wide temperature and pressure range in the sub- and supercritical state
-
Ihmels, E. C.; Gmehling, J. Densities of toluene, carbon dioxide, carbonyl sulfide, and hydrogen sulfide over a wide temperature and pressure range in the sub- and supercritical state Ind. Eng. Chem. Res. 2001, 40, 4470-4477
-
(2001)
Ind. Eng. Chem. Res.
, vol.40
, pp. 4470-4477
-
-
Ihmels, E.C.1
Gmehling, J.2
-
9
-
-
33947353589
-
Hydrogen sulfide. The heat capacity and vapor pressure of solid and liquid. The heat of vaporization. A comparison of thermodynamic and spectroscopic values of the entropy
-
Giauque, W. F.; Blue, B. W. Hydrogen sulfide. The heat capacity and vapor pressure of solid and liquid. The heat of vaporization. A comparison of thermodynamic and spectroscopic values of the entropy J. Am. Chem. Soc. 1936, 58, 831-837
-
(1936)
J. Am. Chem. Soc.
, vol.58
, pp. 831-837
-
-
Giauque, W.F.1
Blue, B.W.2
-
12
-
-
33646900354
-
Dielectric constants of liquid and solid hydrogen sulfide
-
Havriliak, S.; Swenson, R. W.; Cole, R. H. Dielectric constants of liquid and solid hydrogen sulfide J. Chem. Phys. 1955, 23, 134-135
-
(1955)
J. Chem. Phys.
, vol.23
, pp. 134-135
-
-
Havriliak, S.1
Swenson, R.W.2
Cole, R.H.3
-
13
-
-
84896987043
-
Thermophysical properties of fluid systems
-
Linstrom, P. J. Mallard, W. G. National Institute of Standards and Technology: Gaithersburg, MD, (accessed on May 13, 2014).
-
Lemmon, E. W.; McLinden, M. O.; Friend, D. G. Thermophysical properties of fluid systems. In NIST Chemistry WebBook, NIST Standard Reference Database Number 69; Linstrom, P. J.; Mallard, W. G., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, 2013; http://webbook.nist.gov (accessed on May 13, 2014).
-
(2013)
NIST Chemistry WebBook, NIST Standard Reference Database Number 69
-
-
Lemmon, E.W.1
McLinden, M.O.2
Friend, D.G.3
-
14
-
-
0001156309
-
Intermolecular potential functions and Monte Carlo simulations for liquid sulfur compounds
-
Jorgensen, W. L. Intermolecular potential functions and Monte Carlo simulations for liquid sulfur compounds J. Chem. Phys. 1986, 90, 6379-6388
-
(1986)
J. Chem. Phys.
, vol.90
, pp. 6379-6388
-
-
Jorgensen, W.L.1
-
15
-
-
0001371047
-
Intermolecular potentials and the properties of liquid and solid hydrogen sulphide
-
Forester, T. R.; McDonald, I. R.; Klein, M. L. Intermolecular potentials and the properties of liquid and solid hydrogen sulphide Chem. Phys. 1989, 129, 225-234
-
(1989)
Chem. Phys.
, vol.129
, pp. 225-234
-
-
Forester, T.R.1
McDonald, I.R.2
Klein, M.L.3
-
16
-
-
0031192570
-
Effective intermolecular potential for fluid hydrogen sulfide
-
Kristóf, T.; Liszi, J. Effective intermolecular potential for fluid hydrogen sulfide J. Chem. Phys. B 1997, 101, 5480-5483
-
(1997)
J. Chem. Phys. B
, vol.101
, pp. 5480-5483
-
-
Kristóf, T.1
Liszi, J.2
-
17
-
-
26044444670
-
Effect of partial charge parametrization on the fluid phase behavior of hydrogen sulfide
-
Kamath, G.; Lubna, N.; Potoff, J. J. Effect of partial charge parametrization on the fluid phase behavior of hydrogen sulfide J. Chem. Phys. 2005, 123, 124505-1-124505-7
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 1245051-1245057
-
-
Kamath, G.1
Lubna, N.2
Potoff, J.J.3
-
18
-
-
30344482264
-
A polarizable model of water for molecular dynamics simulations of biomolecules
-
Lamoureux, G.; Harder, E.; Vorobyov, I. V.; Roux, B.; MacKerell, A. D. A polarizable model of water for molecular dynamics simulations of biomolecules Chem. Phys. Lett. 2006, 418, 245-249
-
(2006)
Chem. Phys. Lett.
, vol.418
, pp. 245-249
-
-
Lamoureux, G.1
Harder, E.2
Vorobyov, I.V.3
Roux, B.4
Mackerell, A.D.5
-
19
-
-
38049036815
-
Electronic properties of liquid ammonia: A sequential molecular dynamics/quantum mechanics approach
-
Almeida, T. S.; Coutinho, K.; Cabral, B. J. C.; Canuto, S. Electronic properties of liquid ammonia: A sequential molecular dynamics/quantum mechanics approach J. Chem. Phys. 2008, 128, 014506-1-014506-9
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 0145061-0145069
-
-
Almeida, T.S.1
Coutinho, K.2
Cabral, B.J.C.3
Canuto, S.4
-
20
-
-
84876008514
-
Polarizable interaction model for liquid, supercritical, and aqueous ammonia
-
Orabi, E. A.; Lamoureux, G. Polarizable interaction model for liquid, supercritical, and aqueous ammonia J. Chem. Theory Comput. 2013, 9, 2035-2051
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 2035-2051
-
-
Orabi, E.A.1
Lamoureux, G.2
-
21
-
-
84877055026
-
A Drude polarizable model for liquid hydrogen sulfide
-
Riahi, S.; Rowley, C. N. A Drude polarizable model for liquid hydrogen sulfide J. Phys. Chem. B 2013, 117, 5222-5229
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 5222-5229
-
-
Riahi, S.1
Rowley, C.N.2
-
22
-
-
74849089232
-
Solvation thermodynamics of ions: Free energies in water, ammonia, and fused LiCI-KC1 eutectic
-
Plambeck, J. A. Solvation thermodynamics of ions: Free energies in water, ammonia, and fused LiCI-KC1 eutectic Can. J. Chem. 1969, 47, 1401-1410
-
(1969)
Can. J. Chem.
, vol.47
, pp. 1401-1410
-
-
Plambeck, J.A.1
-
23
-
-
0037075394
-
A new cluster pair method of determining absolute single ion solvation energies demonstrated in water and applied to ammonia
-
Tuttle, T. R.; Malaxos, S.; Coe, J. V. A new cluster pair method of determining absolute single ion solvation energies demonstrated in water and applied to ammonia J. Phys. Chem. A 2002, 106, 925-932
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 925-932
-
-
Tuttle, T.R.1
Malaxos, S.2
Coe, J.V.3
-
24
-
-
84877751044
-
Molecular dynamics investigation of alkali metal ions in liquid and aqueous ammonia
-
Orabi, E. A.; Lamoureux, G. Molecular dynamics investigation of alkali metal ions in liquid and aqueous ammonia J. Chem. Theory Comput. 2013, 9, 2324-2338
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 2324-2338
-
-
Orabi, E.A.1
Lamoureux, G.2
-
25
-
-
0000301294
-
The proton's absolute aqueous enthalpy and Gibbs free energy of solvation from cluster-ion solvation data
-
Tissandier, M. D.; Cowen, K. A.; Feng, W. Y.; Gundlach, E.; Cohen, M. H.; Earhart, A. D.; Coe, J. V. The proton's absolute aqueous enthalpy and Gibbs free energy of solvation from cluster-ion solvation data J. Phys. Chem. A 1998, 102, 7787-7794
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 7787-7794
-
-
Tissandier, M.D.1
Cowen, K.A.2
Feng, W.Y.3
Gundlach, E.4
Cohen, M.H.5
Earhart, A.D.6
Coe, J.V.7
-
26
-
-
77950132714
-
Simulating monovalent and divalent ions in aqueous solution using a Drude polarizable force field
-
Yu, H.; Whitfield, T.; Harder, E.; Lamoureux, G.; Vorobyov, I.; Anisimov, V. M.; MacKerell, A. D.; Roux, B. Simulating monovalent and divalent ions in aqueous solution using a Drude polarizable force field J. Chem. Theory Comput. 2010, 6, 774-786
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 774-786
-
-
Yu, H.1
Whitfield, T.2
Harder, E.3
Lamoureux, G.4
Vorobyov, I.5
Anisimov, V.M.6
Mackerell, A.D.7
Roux, B.8
-
27
-
-
70450206724
-
-
Revision B.01; 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, Jr., 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, J. M.; 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, Revision B.01; 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, Jr.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, J.M.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..
-
28
-
-
33746614482
-
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
-
Dunning, T. H., Jr. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen J. Chem. Phys. 1989, 90, 1007-1023
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007-1023
-
-
Dunning Jr., T.H.1
-
29
-
-
4143095330
-
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
-
Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions J. Chem. Phys. 1992, 96, 6796-6806
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796-6806
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
30
-
-
3843146349
-
Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
-
Woon, D. E.; Dunning, T. H., Jr. Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon J. Chem. Phys. 1993, 98, 1358-1371
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1358-1371
-
-
Woon, D.E.1
Dunning Jr., T.H.2
-
31
-
-
26444474547
-
Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties
-
Woon, D. E.; Dunning, T. H., Jr. Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties J. Chem. Phys. 1994, 100, 2975-2988
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 2975-2988
-
-
Woon, D.E.1
Dunning Jr., T.H.2
-
32
-
-
84906249542
-
-
The Stuttgart relativistic small core basis set was obtained from EMSL Basis Set Library at (accessed May 13, 2014).
-
The Stuttgart relativistic small core basis set was obtained from EMSL Basis Set Library at https://bse.pnl.gov/bse/portal (accessed May 13, 2014).
-
-
-
-
33
-
-
84944675147
-
Ab initio energy-adjusted pseudopotentials for elements of groups 13-17
-
For the original valence basis set and ECP reference, see
-
For the original valence basis set and ECP reference, see Bergner, A.; Dolg, M.; Kuechle, W.; Stoll, H.; Preuss, H. Ab initio energy-adjusted pseudopotentials for elements of groups 13-17 Mol. Phys. 1993, 80, 1431-1441
-
(1993)
Mol. Phys.
, vol.80
, pp. 1431-1441
-
-
Bergner, A.1
Dolg, M.2
Kuechle, W.3
Stoll, H.4
Preuss, H.5
-
34
-
-
84890021933
-
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
-
Boys, S.; Bernardi, 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.1
Bernardi, F.2
-
35
-
-
67650500988
-
CHARMM: The biomolecular simulation program
-
Brooks, B. R.; Brooks, C. L.; Mackerell, A. D.; Nilsson, L.; Petrella, R. J.; Roux, B.; Won, Y.; Archontis, G.; Bartels, C.; Boresch, S.; Caflisch, A.; Caves, L.; Cui, Q.; Dinner, A. R.; Feig, M.; Fischer, S.; Gao, J.; Hodoscek, M.; Im, W.; Kuczera, K.; Lazaridis, T.; Ma, J.; Ovchinnikov, V.; Paci, E.; Pastor, R. W.; Post, C. B.; Pu, J. Z.; Schaefer, M.; Tidor, B.; Venable, R. M.; Woodcock, H. L.; Wu, X.; Yang, W.; York, D. M.; Karplus, M. CHARMM: The biomolecular simulation program J. Comput. Chem. 2009, 30, 1545-1614
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 1545-1614
-
-
Brooks, B.R.1
Brooks, C.L.2
Mackerell, A.D.3
Nilsson, L.4
Petrella, R.J.5
Roux, B.6
Won, Y.7
Archontis, G.8
Bartels, C.9
Boresch, S.10
Caflisch, A.11
Caves, L.12
Cui, Q.13
Dinner, A.R.14
Feig, M.15
Fischer, S.16
Gao, J.17
Hodoscek, M.18
Im, W.19
Kuczera, K.20
Lazaridis, T.21
Ma, J.22
Ovchinnikov, V.23
Paci, E.24
Pastor, R.W.25
Post, C.B.26
Pu, J.Z.27
Schaefer, M.28
Tidor, B.29
Venable, R.M.30
Woodcock, H.L.31
Wu, X.32
Yang, W.33
York, D.M.34
Karplus, M.35
more..
-
36
-
-
0041878923
-
Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm
-
Lamoureux, G.; Roux, B. Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm J. Chem. Phys. 2003, 119, 3025-3039
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 3025-3039
-
-
Lamoureux, G.1
Roux, B.2
-
37
-
-
84855643521
-
Cation-π and π-π Interactions in aqueous solution studied using polarizable potential models
-
Orabi, E. A.; Lamoureux, G. Cation-π and π-π interactions in aqueous solution studied using polarizable potential models J. Chem. Theory Comput. 2012, 8, 182-193
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 182-193
-
-
Orabi, E.A.1
Lamoureux, G.2
-
38
-
-
84863676960
-
Molecular modelling of cation-π interactions
-
Lamoureux, G.; Orabi, E. A. Molecular modelling of cation-π interactions Mol. Simul. 2012, 38, 704-722
-
(2012)
Mol. Simul.
, vol.38
, pp. 704-722
-
-
Lamoureux, G.1
Orabi, E.A.2
-
39
-
-
84863448946
-
Ammonium transporters achieve charge transfer by fragmenting their substrate
-
Wang, S.; Orabi, E. A.; Baday, S.; Bernèche, S.; Lamoureux, G. Ammonium transporters achieve charge transfer by fragmenting their substrate J. Am. Chem. Soc. 2012, 134, 10419-10427
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 10419-10427
-
-
Wang, S.1
Orabi, E.A.2
Baday, S.3
Bernèche, S.4
Lamoureux, G.5
-
40
-
-
0000026966
-
Explicit reversible integrators for extended systems dynamics
-
Martyna, G. J.; Tuckerman, M. E.; Tobias, D. J.; Klein, M. L. Explicit reversible integrators for extended systems dynamics Mol. Phys. 1996, 87, 1117-1157
-
(1996)
Mol. Phys.
, vol.87
, pp. 1117-1157
-
-
Martyna, G.J.1
Tuckerman, M.E.2
Tobias, D.J.3
Klein, M.L.4
-
43
-
-
33645961739
-
A smooth particle mesh Ewald method
-
Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. A smooth particle mesh Ewald method J. Chem. Phys. 1995, 103, 8577-8593
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
44
-
-
1642455952
-
Pressure-based long-range correction for Lennard-Jones interactions in molecular dynamics simulations: Application to alkanes and interfaces
-
Lagüe, P.; Pastor, R. W.; Brooks, B. R. Pressure-based long-range correction for Lennard-Jones interactions in molecular dynamics simulations: Application to alkanes and interfaces J. Phys. Chem. B 2004, 108, 363-368
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 363-368
-
-
Lagüe, P.1
Pastor, R.W.2
Brooks, B.R.3
-
45
-
-
0001538909
-
Canonical dynamics: Equilibrium phase-space distributions
-
Hoover, W. G. Canonical dynamics: Equilibrium phase-space distributions Phys. Rev. A 1985, 31, 1695-1697
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695-1697
-
-
Hoover, W.G.1
-
46
-
-
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
-
47
-
-
6444220229
-
System-size dependence of diffusion coefficients and viscosities from molecular dynamics simulations with periodic boundary conditions
-
Yeh, I.-C.; Hummer, G. System-size dependence of diffusion coefficients and viscosities from molecular dynamics simulations with periodic boundary conditions J. Phys. Chem. B 2004, 108, 15873-15879
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 15873-15879
-
-
Yeh, I.-C.1
Hummer, G.2
-
48
-
-
0001110782
-
Computer simulation and the dielectric constant of polarizable polar systems
-
Neumann, M.; Steinhauser, O. Computer simulation and the dielectric constant of polarizable polar systems Chem. Phys. Lett. 1984, 106, 563-569
-
(1984)
Chem. Phys. Lett.
, vol.106
, pp. 563-569
-
-
Neumann, M.1
Steinhauser, O.2
-
49
-
-
0001225713
-
A Theory of the Dielectric Polarization of Polar Substances
-
Buckingham, A. D. A Theory of the Dielectric Polarization of Polar Substances Proc. R. Soc. London, Ser. A 1956, 238, 235-244
-
(1956)
Proc. R. Soc. London, Ser. A
, vol.238
, pp. 235-244
-
-
Buckingham, A.D.1
-
50
-
-
33745171207
-
A precise solution of the rotation bending Schrödinger equation for a triatomic molecule with application to the water molecule
-
Hoy, A. R.; Bunker, P. R. A precise solution of the rotation bending Schrödinger equation for a triatomic molecule with application to the water molecule J. Mol. Spectrosc. 1979, 74, 1-8
-
(1979)
J. Mol. Spectrosc.
, vol.74
, pp. 1-8
-
-
Hoy, A.R.1
Bunker, P.R.2
-
51
-
-
0003670924
-
Selected values of electric dipole moments for molecules in the gas phase
-
NIST, Washington, DC, 1967, (accessed on May 13).
-
Nelson, R. D.; Lide, D. R.; Maryott, A. A. Selected values of electric dipole moments for molecules in the gas phase. National Standard Reference Data Series, National Bureau of Standards 10; NIST, Washington, DC, 1967, http://www.nist.gov/data/nsrds/NSRDS-NBS-10.pdf (accessed on May 13, 2014).
-
(2014)
National Standard Reference Data Series, National Bureau of Standards 10
-
-
Nelson, R.D.1
Lide, D.R.2
Maryott, A.A.3
-
52
-
-
0031572665
-
Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum rules
-
Olney, T. N.; Cann, N. M.; Cooper, G.; Brion, C. E. Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum rules Chem. Phys. 1997, 223, 59-98
-
(1997)
Chem. Phys.
, vol.223
, pp. 59-98
-
-
Olney, T.N.1
Cann, N.M.2
Cooper, G.3
Brion, C.E.4
-
53
-
-
0003929557
-
Tables of molecular Vibrational frequencies i
-
NIST, Washington, DC, 1972, (accessed on May 13).
-
Shimanouchi, T. Tables of molecular Vibrational frequencies I. National Standard Reference Data Series National Bureau of Standards 39; NIST, Washington, DC, 1972, http://www.nist.gov/data/nsrds/NSRDS-NBS-39.pdf (accessed on May 13, 2014).
-
(2014)
National Standard Reference Data Series National Bureau of Standards 39
-
-
Shimanouchi, T.1
-
54
-
-
33847088763
-
Low-pressure solubility of gases in liquid water
-
Wilhelm, E.; Battino, R.; Wilcock, R. J. Low-pressure solubility of gases in liquid water Chem. Rev. 1977, 77, 219-262
-
(1977)
Chem. Rev.
, vol.77
, pp. 219-262
-
-
Wilhelm, E.1
Battino, R.2
Wilcock, R.J.3
-
55
-
-
0031553195
-
Thermodynamic decomposition of hydration free energies by computer simulation: Application to amines, oxides, and sulfides
-
Kubo, M. M.; Gallicchio, E.; Levy, R. M. Thermodynamic decomposition of hydration free energies by computer simulation: Application to amines, oxides, and sulfides J. Phys. Chem. B 1997, 101, 10527-10534
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 10527-10534
-
-
Kubo, M.M.1
Gallicchio, E.2
Levy, R.M.3
-
56
-
-
84893855377
-
Solvation of hydrogen sulfide in liquid water and at the water-vapor interface using a polarizable force field
-
Riahi, S.; Rowley, C. N. Solvation of hydrogen sulfide in liquid water and at the water-vapor interface using a polarizable force field J. Phys. Chem. B 2014, 118, 1373-1380
-
(2014)
J. Phys. Chem. B
, vol.118
, pp. 1373-1380
-
-
Riahi, S.1
Rowley, C.N.2
-
57
-
-
0028257828
-
Solubility of hydrogen sulfide in pure water and in NaCl solutions, from 20 to 320 °c and at saturation pressures
-
Suleimenov, O. M.; Krupp, R. E. Solubility of hydrogen sulfide in pure water and in NaCl solutions, from 20 to 320 °C and at saturation pressures Geochim. Cosmochim. Acta 1994, 58, 2433-2444
-
(1994)
Geochim. Cosmochim. Acta
, vol.58
, pp. 2433-2444
-
-
Suleimenov, O.M.1
Krupp, R.E.2
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