-
3
-
-
33745774053
-
Quantum Monte Carlo vibrational analysis of the nitrogen-water complex
-
K.A. Franken C.E. Dykstra Quantum Monte Carlo vibrational analysis of the nitrogen-water complex Chem Phys Lett 220 1994 161-166
-
(1994)
Chem. Phys. Lett.
, vol.220
, pp. 161-166
-
-
Franken, K.A.1
Dykstra, C.E.2
-
4
-
-
0030219352
-
Clusters: Structure, energetics, and dynamics of intermediate states of matter
-
A.W. Castleman K.H. Bowen Clusters: Structure, energetics, and dynamics of intermediate states of matter J Phys Chem 100 1996 12911-12944
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 12911-12944
-
-
Castleman, A.W.1
Bowen, K.H.2
-
6
-
-
0002120344
-
Ab-initio calculation of vibrational force-field of water dimer
-
L.A. Curtiss J.A. Pople Ab-initio calculation of vibrational force-field of water dimer J Mol Spectrosc 55 1975 1-14
-
(1975)
J. Mol. Spectrosc.
, vol.55
, pp. 1-14
-
-
Curtiss, L.A.1
Pople, J.A.2
-
7
-
-
0004716289
-
Determination of liquid water structure, coordination numbers for ions and solvation for biological molecules
-
Berlin: Springer
-
E. Clementi Determination of liquid water structure, coordination numbers for ions and solvation for biological molecules 1976 Springer Berlin
-
(1976)
-
-
Clementi, E.1
-
8
-
-
84990642799
-
Møller-Plesset expansion of the dispersion energy in the ring approximation
-
R. Moszynski B. Jeziorski K. Szalewicz Møller-Plesset expansion of the dispersion energy in the ring approximation Int J Quant Chem 45 1993 409-431
-
(1993)
Int. J. Quant. Chem.
, vol.45
, pp. 409-431
-
-
Moszynski, R.1
Jeziorski, B.2
Szalewicz, K.3
-
9
-
-
0001125626
-
Pair potential for water from symmetry-adapted perturbation theory
-
E.M. Mas K. Szalewicz R. Bukowski B. Jeziorski Pair potential for water from symmetry-adapted perturbation theory J Chem Phys 107 1997 4207-4218
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 4207-4218
-
-
Mas, E.M.1
Szalewicz, K.2
Bukowski, R.3
Jeziorski, B.4
-
10
-
-
0043059441
-
Interaction optimized basis sets for correlated ab initio calculations on the water dimer
-
J.G.C.M. van Duijneveldt-van de Rijdt F.B. van Duijneveldt Interaction optimized basis sets for correlated ab initio calculations on the water dimer J Chem Phys 111 1999 3812-3819
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 3812-3819
-
-
van Duijneveldt-van de Rijdt, J.G.C.M.1
van Duijneveldt, F.B.2
-
13
-
-
0035963808
-
Vibrations, tunneling, and transition dipole moments in the water dimer
-
M.J. Smit G.C. Groenenboom P.E.S. Wormer A. van der Avoird R. Bukowski K. Szalewicz Vibrations, tunneling, and transition dipole moments in the water dimer J Phys Chem A 105 2001 6212-6225
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 6212-6225
-
-
Smit, M.J.1
Groenenboom, G.C.2
Wormer, P.E.S.3
van der Avoird, A.4
Bukowski, R.5
Szalewicz, K.6
-
20
-
-
4243275447
-
A cluster model of the gas-phase water
-
Z. Slanina A cluster model of the gas-phase water Thermochim Acta 114 1987 273-280
-
(1987)
Thermochim Acta
, vol.114
, pp. 273-280
-
-
Slanina, Z.1
-
21
-
-
38249017711
-
Computational studies of water clusters: Temperature, pressure and saturation effects on cluster fractions within the RRHO MCY-B/EPEN steam
-
Z. Slanina Computational studies of water clusters: Temperature, pressure and saturation effects on cluster fractions within the RRHO MCY-B/EPEN steam J Mol Struct 273 1990 81-92
-
(1990)
J. Mol. Struct.
, vol.273
, pp. 81-92
-
-
Slanina, Z.1
-
22
-
-
0004646285
-
Pressure enhancement of gas-phase water-oligomer populations: A RRHO MCY-B/EPEN computational study
-
Z. Slanina Pressure enhancement of gas-phase water-oligomer populations: a RRHO MCY-B/EPEN computational study Z Phys D 5 1987 181-186
-
(1987)
Z. Phys. D
, vol.5
, pp. 181-186
-
-
Slanina, Z.1
-
23
-
-
4243370149
-
Temperature enhancement of water-oligomer populations in saturated aqueous vapor
-
Z. Slanina Temperature enhancement of water-oligomer populations in saturated aqueous vapor Thermochim Acta 116 1987 161-169
-
(1987)
Thermochim Acta
, vol.116
, pp. 161-169
-
-
Slanina, Z.1
-
24
-
-
38249017711
-
Computational studies of water clusters: Temperature, pressure and saturation effects on cluster fractions within the RRHO MCY-B/EPEN steam
-
Z. Slanina Computational studies of water clusters: Temperature, pressure and saturation effects on cluster fractions within the RRHO MCY-B/EPEN steam J Mol Struct 273 1990 81-92
-
(1990)
J. Mol. Struct.
, vol.273
, pp. 81-92
-
-
Slanina, Z.1
-
25
-
-
0004721021
-
A comparative study of the water-dimer gas-phase thermodynamics in the BJH- and MCYL-type flexible potentials
-
Z. Slanina A comparative study of the water-dimer gas-phase thermodynamics in the BJH- and MCYL-type flexible potentials Chem Phys 150 1991 321-329
-
(1991)
Chem. Phys.
, vol.150
, pp. 321-329
-
-
Slanina, Z.1
-
26
-
-
0004654773
-
2 case
-
Z. Slanina A useful test of temperature dependency of cluster populations under saturation conditions: The Ar 2 case Thermochim Acta 209 1992 1-6
-
(1992)
Thermochim Acta
, vol.209
, pp. 1-6
-
-
Slanina, Z.1
-
27
-
-
0000222816
-
Equilibrium constants for the formation of van der Waals dimers - Calculations for Ar-Ar and Mg-Mg
-
P.S. Dardi J.S. Dahler Equilibrium constants for the formation of van der Waals dimers - calculations for Ar-Ar and Mg-Mg J Chem Phys 93 1990 3562-3572
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 3562-3572
-
-
Dardi, P.S.1
Dahler, J.S.2
-
28
-
-
0004688714
-
2 mole fraction in saturated magnesium vapor
-
2 mole fraction in saturated magnesium vapor Thermochim Acta 207 1992 9-13
-
(1992)
Thermochim Acta
, vol.207
, pp. 9-13
-
-
Slanina, Z.1
-
30
-
-
29244446534
-
-
JANAF thermochemical tables. Natl. Bur. Stand., Washington, DC, 1971
-
JANAF thermochemical tables. Natl. Bur. Stand., Washington, DC, 1971, 1985.
-
(1985)
-
-
-
32
-
-
36549103625
-
Temperature dependence of low- and high-frequency Raman scattering from liquid water
-
G. Walrafen M.R. Fisher M.S. Hokmabadi W.H. Yang Temperature dependence of low- and high-frequency Raman scattering from liquid water J Chem Phys 85 1986 6970-6971
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 6970-6971
-
-
Walrafen, G.1
Fisher, M.R.2
Hokmabadi, M.S.3
Yang, W.H.4
-
33
-
-
0008799355
-
Effect of temperature on the hydrogen bond distribution in water as studied by infrared spectra
-
Y. Fujita S. Ikawa Effect of temperature on the hydrogen bond distribution in water as studied by infrared spectra Chem Phys Lett 159 1989 184-188
-
(1989)
Chem. Phys. Lett.
, vol.159
, pp. 184-188
-
-
Fujita, Y.1
Ikawa, S.2
-
34
-
-
0008992230
-
Water vapor continuous absorption in various mixtures: Possible role of weakly bound complexes
-
A.A. Vigasin Water vapor continuous absorption in various mixtures: possible role of weakly bound complexes JQSRT 64 2000 25-40
-
(2000)
JQSRT
, vol.64
, pp. 25-40
-
-
Vigasin, A.A.1
-
35
-
-
0033626117
-
Physicochemical properties of hydrated complexes in the Earth's atmosphere
-
V. Vaida J.E. Headrick Physicochemical properties of hydrated complexes in the Earth's atmosphere J Phys Chem A 104 2000 5401-5412
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 5401-5412
-
-
Vaida, V.1
Headrick, J.E.2
-
36
-
-
0034950583
-
Computing molecular species of atmospheric significancy in Earth's and other atmospheres
-
Z. Slanina F. Uhlík A.T. Saito E. Osawa Computing molecular species of atmospheric significancy in Earth's and other atmospheres Phys Chem Earth C 26 2001 505-511
-
(2001)
Phys. Chem. Earth C
, vol.26
, pp. 505-511
-
-
Slanina, Z.1
Uhlík, F.2
Saito, A.T.3
Osawa, E.4
-
37
-
-
29244471352
-
-
Gaussian 98, Revision A7 Pittsburgh, PA: Gaussian Inc
-
M.J. Frisch G.W. Trucks H.B. Schlegel G.E. Scuseria M.A. Robb J.R. Cheeseman et al. Gaussian 98, Revision A7 1998 Gaussian Inc. Pittsburgh, PA
-
(1998)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
-
38
-
-
84890021933
-
The calculation of small molecular interactions by the difference of separate total energies. Some procedures with reduced errors
-
S.F. Boys F. Bernardi The calculation of small molecular interactions by the difference of separate total energies. Some procedures with reduced errors Mol Phys 19 1970 553-568
-
(1970)
Mol. Phys.
, vol.19
, pp. 553-568
-
-
Boys, S.F.1
Bernardi, F.2
-
45
-
-
49649148313
-
The infrared spectrum of bound state oxygen dimers
-
C.A. Long G.E. Ewing The infrared spectrum of bound state oxygen dimers Chem Phys Lett 9 1971 225-229
-
(1971)
Chem. Phys. Lett.
, vol.9
, pp. 225-229
-
-
Long, C.A.1
Ewing, G.E.2
-
47
-
-
29244439063
-
Dimerization of homonuclear biatomic molecules
-
Z. Slanina Dimerization of homonuclear biatomic molecules Collect Czech Chem Commun 39 1974 228-235
-
(1974)
Collect Czech. Chem. Commun.
, vol.39
, pp. 228-235
-
-
Slanina, Z.1
-
52
-
-
0037127012
-
Experimental detection of tetranitrogen
-
F. Cacace G. de Petris A. Troiani Experimental detection of tetranitrogen Science 295 2002 480-481
-
(2002)
Science
, vol.295
, pp. 480-481
-
-
Cacace, F.1
de Petris, G.2
Troiani, A.3
-
53
-
-
0037009133
-
4: Pneumatic chemistry in the 21st century
-
4: Pneumatic chemistry in the 21st century Chem Eur J 8 2002 3839-3847
-
(2002)
Chem. Eur. J.
, vol.8
, pp. 3839-3847
-
-
Cacace, F.1
-
55
-
-
0000384583
-
+ ion remain in cage cavity?
-
+ ion remain in cage cavity? Chem Phys Lett 319 2000 440-450
-
(2000)
Chem. Phys. Lett.
, vol.319
, pp. 440-450
-
-
Khan, A.1
-
56
-
-
0035135199
-
Water dimers in the atmosphere: Equilibrium constant for water dimerization from the VRT (ASP-W) potential surface
-
N. Goldman R.S. Fellers C. Leforestier R.J. Saykally Water dimers in the atmosphere: Equilibrium constant for water dimerization from the VRT (ASP-W) potential surface J Phys Chem A 105 2001 515-519
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 515-519
-
-
Goldman, N.1
Fellers, R.S.2
Leforestier, C.3
Saykally, R.J.4
-
60
-
-
1542276751
-
Thermodynamics of forming water clusters at various temperatures and pressures by Gaussian-2, Gaussian-3, complete basis set-QB3, and complete basis set-APNO model chemistries; implications for atmospheric chemistry
-
M.E. Dunn E.K. Pokon G.C. Shields Thermodynamics of forming water clusters at various temperatures and pressures by Gaussian-2, Gaussian-3, complete basis set-QB3, and complete basis set-APNO model chemistries; implications for atmospheric chemistry J Am Chem Soc 126 2004 2647-2653
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 2647-2653
-
-
Dunn, M.E.1
Pokon, E.K.2
Shields, G.C.3
-
61
-
-
1242333100
-
Water dimers in the atmosphere II: Results from the VRT(ASP-W)III potential surface
-
N. Goldman C. Leforestier R.J. Saykally Water dimers in the atmosphere II: Results from the VRT(ASP-W)III potential surface J Phys Chem A 108 2004 787-794
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 787-794
-
-
Goldman, N.1
Leforestier, C.2
Saykally, R.J.3
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