-
3
-
-
77951800954
-
Detection of ice and organics on an asteroidal surface
-
Rivkin AS, Emery JP (2010) Detection of ice and organics on an asteroidal surface. Nature 464:1322-1323.
-
(2010)
Nature
, vol.464
, pp. 1322-1323
-
-
Rivkin, A.S.1
Emery, J.P.2
-
4
-
-
24144437688
-
The physics of snow crystals
-
Libbrecht KG (2005) The physics of snow crystals. Rep Prog Phys 68:855-895.
-
(2005)
Rep Prog Phys
, vol.68
, pp. 855-895
-
-
Libbrecht, K.G.1
-
5
-
-
0003136347
-
The probable role of stratospheric 'ice' clouds: Heterogeneous chemistry of the 'ozone hole'
-
ed JG Clavert (Blackwell Scientific, Boston)
-
MolinaMJ (1994) The probable role of stratospheric 'ice' clouds: Heterogeneous chemistry of the 'ozone hole'. The Chemistry of the Atmosphere: The Impact of Global Change, ed JG Clavert (Blackwell Scientific, Boston), pp 27-38.
-
(1994)
The Chemistry of the Atmosphere: The Impact of Global Change
, pp. 27-38
-
-
Molina, M.J.1
-
6
-
-
0035575936
-
Molecular atmospheric pollutant adsorption on ice: A theoretical survey
-
DOI 10.1016/S0167-5729(01)00016-4, PII S0167572901000164
-
Girardet C, Toubin C (2001) Molecular atmospheric pollutant adsorption on ice: A theoretical survey. Sruf Sci Rep 44:159-238. (Pubitemid 33080585)
-
(2001)
Surface Science Reports
, vol.44
, Issue.7-8
, pp. 159-238
-
-
Girardet, C.1
Toubin, C.2
-
7
-
-
0346884091
-
Interactions of atmospheric trace gases with ice surfaces: Adsorption and reaction
-
Abbatt JPD (2003) Interactions of atmospheric trace gases with ice surfaces: Adsorption and reaction. Chem Rev 103:4783-4800.
-
(2003)
Chem Rev
, vol.103
, pp. 4783-4800
-
-
Abbatt, J.P.D.1
-
8
-
-
33646461133
-
The uptake of acidic gases on ice
-
Huthwelker T, Ammann M, Peter T (2006) The uptake of acidic gases on ice. Chem Rev 106:1375-1444.
-
(2006)
Chem Rev
, vol.106
, pp. 1375-1444
-
-
Huthwelker, T.1
Ammann, M.2
Peter, T.3
-
9
-
-
58149148303
-
Dual function of the hydration layer around an antifreeze protein revealed by atomistic molecular dynamics simulations
-
Nutt DR, Smith JC (2008) Dual function of the hydration layer around an antifreeze protein revealed by atomistic molecular dynamics simulations. J Am Chem Soc 130:13066-13073.
-
(2008)
J Am Chem Soc
, vol.130
, pp. 13066-13073
-
-
Nutt, D.R.1
Smith, J.C.2
-
10
-
-
80053050767
-
Large variation of vacancy formation energies in the surface of crystalline ice
-
Watkins M, et al. (2011) Large variation of vacancy formation energies in the surface of crystalline ice. Nat Mater 10:794-798.
-
(2011)
Nat Mater
, vol.10
, pp. 794-798
-
-
Watkins, M.1
-
11
-
-
0031167218
-
Molecular surface structure of ice(0001): Dynamical low-energy electron diffraction, total-energy calculations and molecular dynamics simulations
-
PII S0039602897000903
-
Materer N, et al. (1997) Molecular surface structure of ice (0001): Dynamical lowenergy electron diffraction, total-energy calculations, and molecular dynamics simulations. Surf Sci 381:190-210. (Pubitemid 127381173)
-
(1997)
Surface Science
, vol.381
, Issue.2-3
, pp. 190-210
-
-
Materer, N.1
Starke, U.2
Barbieri, A.3
Van Hove, M.A.4
Somorjai, G.A.5
Kroes, G.-J.6
Minot, C.7
-
12
-
-
0037425880
-
The adsorption of xenon on crystalline ice surfaces grown on Pt(111) studied with helium atom scattering
-
Graham AP, Toennies JP (2003) The adsorption of xenon on crystalline ice surfaces grown on Pt(111) studied with helium atom scattering. J Chem Phys 118:2879-2885.
-
(2003)
J Chem Phys
, vol.118
, pp. 2879-2885
-
-
Graham, A.P.1
Toennies, J.P.2
-
13
-
-
11244311914
-
2O: A combined computational/spectroscopic outlook
-
DOI 10.1080/01442350412331316124
-
Buch V, Bauerecker S, Devlin JP, Buck U, Kazimirski JK (2004) Solid water clusters in the size range of tens-thousands of H2O: A combined computational/spectroscopic outlook. Int Rev Phys Chem 23:375-433. (Pubitemid 40065024)
-
(2004)
International Reviews in Physical Chemistry
, vol.23
, Issue.3
, pp. 375-433
-
-
Buch, V.1
Bauerecker, S.2
Devlin, J.P.3
Buck, U.4
Kazimirski, J.K.5
-
14
-
-
0346735076
-
A theory of water and ionic solution, with particular reference to hydrogen and hydroxyl ions
-
Bernal JD, Fowler RH (1933) A theory of water and ionic solution, with particular reference to hydrogen and hydroxyl ions. J Chem Phys 1:515-548.
-
(1933)
J Chem Phys
, vol.1
, pp. 515-548
-
-
Bernal, J.D.1
Fowler, R.H.2
-
15
-
-
33947346630
-
The structure and entropy of ice and of other crystals with some randomness of atomic arrangement
-
Pauling L (1935) The structure and entropy of ice and of other crystals with some randomness of atomic arrangement. J Am Chem Soc 57:2680-2684.
-
(1935)
J Am Chem Soc
, vol.57
, pp. 2680-2684
-
-
Pauling, L.1
-
16
-
-
44449149284
-
Proton order in the ice crystal surface
-
DOI 10.1073/pnas.0710129105
-
Buch V, Groenzin H, Li I, Shultz MJ, Tosatti E (2008) Proton order in the ice crystal surface. Proc Natl Acad Sci USA 105:5969-5974. (Pubitemid 351758383)
-
(2008)
Proceedings of the National Academy of Sciences of the United States of America
, vol.105
, Issue.16
, pp. 5969-5974
-
-
Buch, V.1
Groenzin, H.2
Li, I.3
Shultz, M.J.4
Tosatti, E.5
-
17
-
-
54249129245
-
Surface energy and surface proton order of ice Ih
-
Pan D, et al. (2008) Surface energy and surface proton order of ice Ih. Phys Rev Lett 101:155703.
-
(2008)
Phys Rev Lett
, vol.101
, pp. 155703
-
-
Pan, D.1
-
18
-
-
77955459121
-
Surface energy and surface proton order of the ice Ih basal and prism surfaces
-
Pan D, et al. (2010) Surface energy and surface proton order of the ice Ih basal and prism surfaces. J Phys Condens Matter 22:074209.
-
(2010)
J Phys Condens Matter
, vol.22
, pp. 074209
-
-
Pan, D.1
-
19
-
-
33749058704
-
On certain conditions of freezing water
-
Faraday M (1850) On certain conditions of freezing water. Athenaeum 1181:640-641.
-
(1850)
Athenaeum
, vol.1181
, pp. 640-641
-
-
Faraday, M.1
-
21
-
-
57449088196
-
On thin ice: Surface order and disorder during pre-melting
-
Bishop CL, et al. (2009) On thin ice: Surface order and disorder during pre-melting. Faraday Discuss 141:277-292.
-
(2009)
Faraday Discuss
, vol.141
, pp. 277-292
-
-
Bishop, C.L.1
-
22
-
-
0001691292
-
Unit cells for the simulation of hexagonal ice
-
Hayward JA, Reimers JR (1997) Unit cells for the simulation of hexagonal ice. J Chem Phys 106:1518.
-
(1997)
J Chem Phys
, vol.106
, pp. 1518
-
-
Hayward, J.A.1
Reimers, J.R.2
-
23
-
-
27744460065
-
Ab initio molecular-dynamics simulation of the liquid-metalamorphous- semiconductor transition in germanium
-
Kresse G, Hafner J (1994) Ab initio molecular-dynamics simulation of the liquid-metalamorphous- semiconductor transition in germanium. Phys Rev B 49:14251-14269.
-
(1994)
Phys Rev B
, vol.49
, pp. 14251-14269
-
-
Kresse, G.1
Hafner, J.2
-
24
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865-3868. (Pubitemid 126631804)
-
(1996)
Physical Review Letters
, vol.77
, Issue.18
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
25
-
-
0011236321
-
From ultrasoft pseudopotentials to the projector augmented wave method
-
Kresse G, Jouber D (1999) From ultrasoft pseudopotentials to the projector augmented wave method. Phys Rev B 59:1758-1775.
-
(1999)
Phys Rev B
, vol.59
, pp. 1758-1775
-
-
Kresse, G.1
Jouber, D.2
-
26
-
-
4243690324
-
Maximally localized generalized Wannier functions for composite energy bands
-
Marzari N, Vanderbilt D (1997) Maximally localized generalized Wannier functions for composite energy bands. Phys Rev B 56:12847-12865.
-
(1997)
Phys Rev B
, vol.56
, pp. 12847-12865
-
-
Marzari, N.1
Vanderbilt, D.2
-
27
-
-
0032066447
-
Maximally-localized wannier functions for disordered systems: Application to amorphous silicon
-
PII S0038109898001756
-
Silvestrelli PL, et al. (1998) Maximally localized Wannier functions for disordered systems: Application to amorphous silicon. Solid State Commun 107:7-11. (Pubitemid 128401957)
-
(1998)
Solid State Communications
, vol.107
, Issue.1
, pp. 7-11
-
-
Silvestrelli, P.L.1
Marzari, N.2
Vanderbilt, D.3
Parrinello, M.4
-
28
-
-
34648843516
-
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
-
VandeVondele J, Hutter J (2007) Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases. J Chem Phys 127:114105.
-
(2007)
J Chem Phys
, vol.127
, pp. 114105
-
-
VandeVondele, J.1
Hutter, J.2
-
29
-
-
0002467378
-
Fast parallel algorithms for short-range molecular dynamics
-
Plimpton S (1995) Fast parallel algorithms for short-range molecular dynamics. J Comput Phys 117:1-19.
-
(1995)
J Comput Phys
, vol.117
, pp. 1-19
-
-
Plimpton, S.1
-
30
-
-
23344446773
-
A potential model for the study of ices and amorphous water: TIP4P/Ice
-
Abascal JLF, Sanz E, García Femández R, Vega C (2005) A potential model for the study of ices and amorphous water: TIP4P/Ice. J Chem Phys 122:234511.
-
(2005)
J Chem Phys
, vol.122
, pp. 234511
-
-
Abascal, J.L.F.1
Sanz, E.2
García Femández, R.3
Vega, C.4
-
31
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML (1983) Comparison of simple potential functions for simulating liquid water. J Chem Phys 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
-
32
-
-
33646940952
-
Numerical integration of the Cartesian equations of motion of a system with constraints; molecular dynamics of n-alkanes
-
Ryckaert JP, Ciccotti G, Berendsen HJC (1977) Numerical integration of the Cartesian equations of motion of a system with constraints; molecular dynamics of n-alkanes. J Comput Phys 23:327-341.
-
(1977)
J Comput Phys
, vol.23
, pp. 327-341
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
33
-
-
0034915950
-
Diffusion and island formation on the ice Ih basal plane surface
-
Batista ER, Jónsson H (2000) Diffusion and island formation on the ice Ih basal plane surface. Comput Matter Sci 20:325-336.
-
(2000)
Comput Matter Sci
, vol.20
, pp. 325-336
-
-
Batista, E.R.1
Jónsson, H.2
-
34
-
-
33746417623
-
Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations
-
Thierfelder C, et al. (2006) Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations. Phys Rev B 74:045422.
-
(2006)
Phys Rev B
, vol.74
, pp. 045422
-
-
Thierfelder, C.1
-
35
-
-
0042865185
-
Reconstruction of ice crystal surfaces at low temperatures
-
Fletcher NH (1992) Reconstruction of ice crystal surfaces at low temperatures. Philos Mag 66:109-115.
-
(1992)
Philos Mag
, vol.66
, pp. 109-115
-
-
Fletcher, N.H.1
-
37
-
-
84921687455
-
Microwave spectra of molecules of astrophysical interest XIII. Cyanoacetylene
-
Lafferty WJ, Lovas FJ (1978) Microwave spectra of molecules of astrophysical interest XIII. Cyanoacetylene. J Phys Chem Ref Data 7:441-493.
-
(1978)
J Phys Chem Ref Data
, vol.7
, pp. 441-493
-
-
Lafferty, W.J.1
Lovas, F.J.2
-
38
-
-
18344379950
-
Water molecule dipole in the gas and in the liquid phase
-
Silvestrelli PL, Parrinello M (1999) Water molecule dipole in the gas and in the liquid phase. Phys Rev Lett 82:3308-3311. (Pubitemid 129689259)
-
(1999)
Physical Review Letters
, vol.82
, Issue.16
, pp. 3308-3311
-
-
Silvestrelli, P.L.1
Parrinello, M.2
-
39
-
-
44849086725
-
Hydrogen sulphide release to surface waters at the Precambrian/Cambrian boundary
-
DOI 10.1038/nature07072, PII NATURE07072
-
Wille M, et al. (2008) Hydrogen sulphide release to surface waters at the Precambrian/ Cambrian boundary. Nature 453:767-769. (Pubitemid 351793792)
-
(2008)
Nature
, vol.453
, Issue.7196
, pp. 767-769
-
-
Wille, M.1
Nagler, T.F.2
Lehmann, B.3
Schroder, S.4
Kramers, J.D.5
-
43
-
-
67549101099
-
On the phase diagram of water with density functional theory potentials: The melting temperature of ice I with the Perdew- Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals
-
Yoo S, Zeng XC, Xantheas SS (2009) On the phase diagram of water with density functional theory potentials: The melting temperature of ice I with the Perdew- Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals. J Chem Phys 130:221102.
-
(2009)
J Chem Phys
, vol.130
, pp. 221102
-
-
Yoo, S.1
Zeng, X.C.2
Xantheas, S.S.3
|