-
3
-
-
17244367197
-
New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-ζ Basis Set 6-311+G(d, p)
-
Andersson M.P., Uvdal P. New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-ζ Basis Set 6-311+G(d, p). J. Phys. Chem. A 2005, 109:2937-2941.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 2937-2941
-
-
Andersson, M.P.1
Uvdal, P.2
-
5
-
-
44349101503
-
2 levels after a Neoproterozoic glaciation
-
2 levels after a Neoproterozoic glaciation. Nature 2008, 453:504-506.
-
(2008)
Nature
, vol.453
, pp. 504-506
-
-
Bao, H.M.1
Lyons, J.R.2
Zhou, C.3
-
6
-
-
77953727009
-
2 oxidation and sulphate aerosol deposition in Cenozoic North America
-
2 oxidation and sulphate aerosol deposition in Cenozoic North America. Nature 2010, 465:909-912.
-
(2010)
Nature
, vol.465
, pp. 909-912
-
-
Bao, H.M.1
Yu, S.C.2
Tong, D.Q.3
-
8
-
-
34548611978
-
18O in air and their implications for isotope hydrology
-
18O in air and their implications for isotope hydrology. Rapid Commun. Mass Spectrom. 2007, 21:2999-3005.
-
(2007)
Rapid Commun. Mass Spectrom.
, vol.21
, pp. 2999-3005
-
-
Barkan, E.1
Luz, B.2
-
9
-
-
0000189651
-
Density-functional thermochemistry. III. The role of exact exchange
-
Becke A.D. Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 1993, 98:5648-5652.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
10
-
-
0028600307
-
The Dole effect and its variations during the last 130,000years as measured in the Vostok ice core
-
Bender M., Sowers T., Labeyrie L. The Dole effect and its variations during the last 130,000years as measured in the Vostok ice core. Global Biogeochem. Cycles 1994, 8(3):363-376.
-
(1994)
Global Biogeochem. Cycles
, vol.8
, Issue.3
, pp. 363-376
-
-
Bender, M.1
Sowers, T.2
Labeyrie, L.3
-
11
-
-
36849116826
-
Statistical mechanics of isotopic systems with small quantum corrections. 1. General considerations and the rule of the geometric mean
-
Bigeleisen J. Statistical mechanics of isotopic systems with small quantum corrections. 1. General considerations and the rule of the geometric mean. J. Chem. Phys. 1955, 23:2264-2267.
-
(1955)
J. Chem. Phys.
, vol.23
, pp. 2264-2267
-
-
Bigeleisen, J.1
-
12
-
-
36849137629
-
Calculation of equilibrium constants for isotopic exchange reactions
-
Bigeleisen J., Mayer M.G. Calculation of equilibrium constants for isotopic exchange reactions. J. Chem. Phys. 1947, 15:261-267.
-
(1947)
J. Chem. Phys.
, vol.15
, pp. 261-267
-
-
Bigeleisen, J.1
Mayer, M.G.2
-
13
-
-
0001141138
-
Calculation of fractionation factors for carbon and oxygen isotopic exchange in system calcite-carbon dioxide-water
-
Bottinga Y. Calculation of fractionation factors for carbon and oxygen isotopic exchange in system calcite-carbon dioxide-water. J. Phys. Chem. 1968, 72:800-808.
-
(1968)
J. Phys. Chem.
, vol.72
, pp. 800-808
-
-
Bottinga, Y.1
-
15
-
-
34748864188
-
Equilibrium oxygen, hydrogen and carbon isotope fractionation factors applicable to geologic systems
-
Chacko T., Cole D.R., Horita J. Equilibrium oxygen, hydrogen and carbon isotope fractionation factors applicable to geologic systems. Rev. Mineral. Geochem. 2001, 43:1-81.
-
(2001)
Rev. Mineral. Geochem.
, vol.43
, pp. 1-81
-
-
Chacko, T.1
Cole, D.R.2
Horita, J.3
-
16
-
-
47049088012
-
Theoretical calculation of oxygen isotope fractionation factors in carbonate systems
-
Chacko T., Deines P. Theoretical calculation of oxygen isotope fractionation factors in carbonate systems. Geochim. Cosmochim. Acta 2008, 72:3642-3660.
-
(2008)
Geochim. Cosmochim. Acta
, vol.72
, pp. 3642-3660
-
-
Chacko, T.1
Deines, P.2
-
17
-
-
40649113676
-
Oxygen isotopes in the early solar system-A historical perspective
-
Clayton R.N. Oxygen isotopes in the early solar system-A historical perspective. Rev. Mineral. Geochem. 2008, 68:5-14.
-
(2008)
Rev. Mineral. Geochem.
, vol.68
, pp. 5-14
-
-
Clayton, R.N.1
-
18
-
-
0000714524
-
A component of primitive nuclear composition in carbonaceous meteorites
-
Clayton R.N., Grossman L., Mayeda T.K. A component of primitive nuclear composition in carbonaceous meteorites. Science 1973, 182:485-498.
-
(1973)
Science
, vol.182
, pp. 485-498
-
-
Clayton, R.N.1
Grossman, L.2
Mayeda, T.K.3
-
20
-
-
2942587165
-
Carbon isotope effects in carbonate systems
-
Deines P. Carbon isotope effects in carbonate systems. Geochim. Cosmochim. Acta 2004, 68:2659-2679.
-
(2004)
Geochim. Cosmochim. Acta
, vol.68
, pp. 2659-2679
-
-
Deines, P.1
-
22
-
-
4243307847
-
The energy levels of a rotating vibrator
-
Dunham J.L. The energy levels of a rotating vibrator. Phys. Rev. 1932, 41:721-731.
-
(1932)
Phys. Rev.
, vol.41
, pp. 721-731
-
-
Dunham, J.L.1
-
23
-
-
35148830054
-
"Clumped-isotope" Geochemistry-the study of naturally-occurring, multiply-substituted isotopologues
-
Eiler J.M. "Clumped-isotope" Geochemistry-the study of naturally-occurring, multiply-substituted isotopologues. Earth Planet Sci. Lett. 2007, 262:309-327.
-
(2007)
Earth Planet Sci. Lett.
, vol.262
, pp. 309-327
-
-
Eiler, J.M.1
-
24
-
-
0345896787
-
Multiple sulphur isotopic interpretations of biosynthetic pathways: implications for biological signatures in the sulphur isotope record
-
Farquhar J., Johnston D.T., Wing B.A., Habicht K.S., Canfield D.E., Airieau S., Thiemens M.H. Multiple sulphur isotopic interpretations of biosynthetic pathways: implications for biological signatures in the sulphur isotope record. Geobiology 2003, 1:27-36.
-
(2003)
Geobiology
, vol.1
, pp. 27-36
-
-
Farquhar, J.1
Johnston, D.T.2
Wing, B.A.3
Habicht, K.S.4
Canfield, D.E.5
Airieau, S.6
Thiemens, M.H.7
-
25
-
-
11344274827
-
-
Gaussian Inc., Wallingford, CT
-
Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery J.A., Vreven T., Kudin K.N., Burant J.C., Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J.E., Hratchian H.P., Cross J.B., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Gonzalez C., Pople J.A. Gaussian 03, (Revision E.01) 2004, Gaussian Inc., Wallingford, CT.
-
(2004)
Gaussian 03, (Revision E.01)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
-
26
-
-
77952999587
-
Technique for high-precision analysis of triple oxygen isotope ratios in carbon dioxide
-
Hofmann M.E.G., Pack A. Technique for high-precision analysis of triple oxygen isotope ratios in carbon dioxide. Anal. Chem. 2010, 82:4357-4361.
-
(2010)
Anal. Chem.
, vol.82
, pp. 4357-4361
-
-
Hofmann, M.E.G.1
Pack, A.2
-
27
-
-
0028579027
-
Liquid-vapor fractionation of oxygen and hydrogen isotopes of water from the freezing to the critical-temperature
-
Horita J., Wesolowski D.J. Liquid-vapor fractionation of oxygen and hydrogen isotopes of water from the freezing to the critical-temperature. Geochim. Cosmochim. Acta 1994, 58:3425-3437.
-
(1994)
Geochim. Cosmochim. Acta
, vol.58
, pp. 3425-3437
-
-
Horita, J.1
Wesolowski, D.J.2
-
28
-
-
63149083536
-
Uncertainties in scaling factors for ab initio vibrational zero-point energies
-
Irikura K.K., Johnson R.D., Kacker R.N., Kessel R. Uncertainties in scaling factors for ab initio vibrational zero-point energies. J. Chem. Phys. 2009, 130:114102.
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 114102
-
-
Irikura, K.K.1
Johnson, R.D.2
Kacker, R.N.3
Kessel, R.4
-
29
-
-
0001628058
-
Calculation of oxygen isotope fractionation in quartz-water system with special reference to low-temperature fractionation
-
Kawabe I. Calculation of oxygen isotope fractionation in quartz-water system with special reference to low-temperature fractionation. Geochim. Cosmochim. Acta 1978, 42:613-621.
-
(1978)
Geochim. Cosmochim. Acta
, vol.42
, pp. 613-621
-
-
Kawabe, I.1
-
30
-
-
0018430892
-
Thermodynamics and lattice-vibrations of minerals. 1. Mineral heat capacities and their relationships to simple lattice vibrational models
-
Kieffer S.W. Thermodynamics and lattice-vibrations of minerals. 1. Mineral heat capacities and their relationships to simple lattice vibrational models. Rev. Geophys. 1979, 17:1-19.
-
(1979)
Rev. Geophys.
, vol.17
, pp. 1-19
-
-
Kieffer, S.W.1
-
31
-
-
79952442031
-
Triple-oxygen-isotope determination of molecular oxygen incorporation in sulfate produced during abiotic pyrite oxidation (ph=2-11)
-
Kohl I., Bao H.M. Triple-oxygen-isotope determination of molecular oxygen incorporation in sulfate produced during abiotic pyrite oxidation (ph=2-11). Geochim. Cosmochim. Acta 2011, 75:1785-1798.
-
(2011)
Geochim. Cosmochim. Acta
, vol.75
, pp. 1785-1798
-
-
Kohl, I.1
Bao, H.M.2
-
32
-
-
33746789841
-
The triple isotopic composition of oxygen in leaf water
-
Landais A., Barkan E., Yakir D., Luz B. The triple isotopic composition of oxygen in leaf water. Geochim. Cosmochim. Acta 2006, 70:4105-4115.
-
(2006)
Geochim. Cosmochim. Acta
, vol.70
, pp. 4105-4115
-
-
Landais, A.1
Barkan, E.2
Yakir, D.3
Luz, B.4
-
33
-
-
34249319483
-
Millenial scale variations of the isotopic composition of atmospheric oxygen over marine isotopic stage 4
-
Landais A., Masson-Delmotte V., Nebout N.C., Jouzel J., Blunier T., Leuenberger M., Dahl-Jensen D., Johnsen S. Millenial scale variations of the isotopic composition of atmospheric oxygen over marine isotopic stage 4. Earth Planet Sci. Lett. 2007, 258:101-113.
-
(2007)
Earth Planet Sci. Lett.
, vol.258
, pp. 101-113
-
-
Landais, A.1
Masson-Delmotte, V.2
Nebout, N.C.3
Jouzel, J.4
Blunier, T.5
Leuenberger, M.6
Dahl-Jensen, D.7
Johnsen, S.8
-
34
-
-
40849140922
-
17O-excess in ice from Vostok Antarctica during the last 150,000 years
-
17O-excess in ice from Vostok Antarctica during the last 150,000 years. Geophys. Res. Lett. 2008, 35:L02709. 10.1029/2007GL032096.
-
(2008)
Geophys. Res. Lett.
, vol.35
-
-
Landais, A.1
Barkan, E.2
Luz, B.3
-
35
-
-
77957280867
-
17O-excess and d-excess in African monsoon precipitation: Implications for evaluating convective parameterizations
-
17O-excess and d-excess in African monsoon precipitation: Implications for evaluating convective parameterizations. Earth Planet Sci. Lett. 2010, 298:104-112.
-
(2010)
Earth Planet Sci. Lett.
, vol.298
, pp. 104-112
-
-
Landais, A.1
Risi, C.2
Bony, S.3
Vimeux, F.4
Descroix, L.5
Falourd, S.6
Bouygues, A.7
-
36
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
Lee C., Yang W., Parr R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 1988, 37:785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
37
-
-
77957806820
-
First-principles study of Ge isotope fractionation during adsorption onto Fe(III)-oxyhydroxide surfaces
-
Li X.F., Liu Y. First-principles study of Ge isotope fractionation during adsorption onto Fe(III)-oxyhydroxide surfaces. Chem. Geol. 2010, 278:15-22.
-
(2010)
Chem. Geol.
, vol.278
, pp. 15-22
-
-
Li, X.F.1
Liu, Y.2
-
38
-
-
79952630130
-
Equilibrium Se isotope fractionation parameters: a first-principles study
-
Li X.F., Liu Y. Equilibrium Se isotope fractionation parameters: a first-principles study. Earth Planet Sci. Lett. 2011, 304:113-120.
-
(2011)
Earth Planet Sci. Lett.
, vol.304
, pp. 113-120
-
-
Li, X.F.1
Liu, Y.2
-
39
-
-
70349381935
-
Theoretical prediction for several important equilibrium Ge isotope fractionation factors and geological implications
-
Li X., Zhao H., Tang M., Liu Y. Theoretical prediction for several important equilibrium Ge isotope fractionation factors and geological implications. Earth Planet Sci. Lett. 2009, 287:1-11.
-
(2009)
Earth Planet Sci. Lett.
, vol.287
, pp. 1-11
-
-
Li, X.1
Zhao, H.2
Tang, M.3
Liu, Y.4
-
40
-
-
84961986620
-
Ab initio molecular orbital calculations for boron isotope fractionations on boric acids and borates
-
Liu Y., Tossell J.A. Ab initio molecular orbital calculations for boron isotope fractionations on boric acids and borates. Geochim. Cosmochim. Acta 2005, 69:3995-4006.
-
(2005)
Geochim. Cosmochim. Acta
, vol.69
, pp. 3995-4006
-
-
Liu, Y.1
Tossell, J.A.2
-
41
-
-
78650173594
-
On the proper use of the Bigeleisen-Mayer equation and corrections to it in the calculation of isotopic fractionation equilibrium constants
-
Liu Q., Tossell J.A., Liu Y. On the proper use of the Bigeleisen-Mayer equation and corrections to it in the calculation of isotopic fractionation equilibrium constants. Geochim. Cosmochim. Acta 2010, 74:6965-6983.
-
(2010)
Geochim. Cosmochim. Acta
, vol.74
, pp. 6965-6983
-
-
Liu, Q.1
Tossell, J.A.2
Liu, Y.3
-
42
-
-
14844326672
-
16O in molecular oxygen and their significance in biogeochemistry
-
16O in molecular oxygen and their significance in biogeochemistry. Geochim. Cosmochim. Acta 2005, 69:1099-1110.
-
(2005)
Geochim. Cosmochim. Acta
, vol.69
, pp. 1099-1110
-
-
Luz, B.1
Barkan, E.2
-
44
-
-
0033527020
-
Triple-isotope composition of atmospheric oxygen as a tracer of biosphere productivity
-
Luz B., Barkan E., Bender M.L., Thiemens M.H., Boering K.A. Triple-isotope composition of atmospheric oxygen as a tracer of biosphere productivity. Nature 1999, 400:547-551.
-
(1999)
Nature
, vol.400
, pp. 547-551
-
-
Luz, B.1
Barkan, E.2
Bender, M.L.3
Thiemens, M.H.4
Boering, K.A.5
-
45
-
-
0001175714
-
On the isotopic chemistry of carbonates and a paleotemperature scale
-
McCrea J.M. On the isotopic chemistry of carbonates and a paleotemperature scale. J. Chem. Phys. 1950, 18:849-857.
-
(1950)
J. Chem. Phys.
, vol.18
, pp. 849-857
-
-
McCrea, J.M.1
-
46
-
-
0001209166
-
Mechanisms of hydrothermal crystallization of quartz at 250°C and 15kbar
-
Matsuhisa Y., Goldsmith J.R., Clayton R.N. Mechanisms of hydrothermal crystallization of quartz at 250°C and 15kbar. Geochim. Cosmochim. Acta 1978, 42:173-182.
-
(1978)
Geochim. Cosmochim. Acta
, vol.42
, pp. 173-182
-
-
Matsuhisa, Y.1
Goldsmith, J.R.2
Clayton, R.N.3
-
47
-
-
34250350509
-
Equilibrium isotopic fractionation in the kaolinite, quartz, water system: predictions from first-principles density functional theory
-
Méheut M., Lazzeri M., Balan E., Mauri F. Equilibrium isotopic fractionation in the kaolinite, quartz, water system: predictions from first-principles density functional theory. Geochim. Cosmochim. Acta 2007, 71:3170-3181.
-
(2007)
Geochim. Cosmochim. Acta
, vol.71
, pp. 3170-3181
-
-
Méheut, M.1
Lazzeri, M.2
Balan, E.3
Mauri, F.4
-
48
-
-
57749092854
-
Structural control over equilibrium silicon and oxygen isotopic fractionation: a first-principles density-functional theory study
-
Méheut M., Lazzeri M., Balan E., Mauri F. Structural control over equilibrium silicon and oxygen isotopic fractionation: a first-principles density-functional theory study. Chem. Geol. 2009, 258:28-37.
-
(2009)
Chem. Geol.
, vol.258
, pp. 28-37
-
-
Méheut, M.1
Lazzeri, M.2
Balan, E.3
Mauri, F.4
-
50
-
-
36649020243
-
An evaluation of harmonic vibrational frequency scaling factors
-
Merrick J.P., Moran D., Radom L. An evaluation of harmonic vibrational frequency scaling factors. J. Phys. Chem. A 2007, 111:11683-11700.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 11683-11700
-
-
Merrick, J.P.1
Moran, D.2
Radom, L.3
-
51
-
-
0013229358
-
Environmental Isotopes in the Hydrological Cycle: Principles and Applications
-
Introduction - Theory, Methods, Review. UNESCO, IAEA, Paris.
-
Mook W. G. (2000) Environmental Isotopes in the Hydrological Cycle: Principles and Applications, Vol. I: Introduction - Theory, Methods, Review. UNESCO, IAEA, Paris.
-
(2000)
, vol.1
-
-
Mook, W.G.1
-
52
-
-
36849113984
-
Oxygen isotope fractionation in divalent metal carbonates
-
O'Neil J.R., Clayton R.N., Mayeda T.K. Oxygen isotope fractionation in divalent metal carbonates. J. Chem. Phys. 1969, 51:5547-5558.
-
(1969)
J. Chem. Phys.
, vol.51
, pp. 5547-5558
-
-
O'Neil, J.R.1
Clayton, R.N.2
Mayeda, T.K.3
-
53
-
-
41349084548
-
Ab initio calculations for equilibrium fractionations in multiple sulfur isotope systems
-
Otake T., Lasaga A.C., Ohmoto H. Ab initio calculations for equilibrium fractionations in multiple sulfur isotope systems. Chem. Geol. 2008, 249:357-376.
-
(2008)
Chem. Geol.
, vol.249
, pp. 357-376
-
-
Otake, T.1
Lasaga, A.C.2
Ohmoto, H.3
-
54
-
-
0002470474
-
A review of hydrogen, carbon, nitrogen, oxygen, sulphur, and chlorine stable isotope fractionation among gaseous molecules
-
Richet P., Bottinga Y., Javoy M. A review of hydrogen, carbon, nitrogen, oxygen, sulphur, and chlorine stable isotope fractionation among gaseous molecules. Ann. Rev. Earth Planet. Sci. 1977, 5:65-110.
-
(1977)
Ann. Rev. Earth Planet. Sci.
, vol.5
, pp. 65-110
-
-
Richet, P.1
Bottinga, Y.2
Javoy, M.3
-
56
-
-
0011135365
-
2: oxygen isotope fractionation behavior
-
2: oxygen isotope fractionation behavior. Geochim. Cosmochim. Acta 1997, 61:4993-5003.
-
(1997)
Geochim. Cosmochim. Acta
, vol.61
, pp. 4993-5003
-
-
Rosenbaum, J.M.1
-
57
-
-
34347217468
-
Oxygen three-isotope fractionation lines in terrestrial silicate minerals: An inter-laboratory comparison of hydrothermal quartz and eclogitic garnet
-
Rumble D., Miller M.F., Franchi I.A., Greenwood R.C. Oxygen three-isotope fractionation lines in terrestrial silicate minerals: An inter-laboratory comparison of hydrothermal quartz and eclogitic garnet. Geochim. Cosmochim. Acta 2007, 71:3592-3600.
-
(2007)
Geochim. Cosmochim. Acta
, vol.71
, pp. 3592-3600
-
-
Rumble, D.1
Miller, M.F.2
Franchi, I.A.3
Greenwood, R.C.4
-
58
-
-
48749104121
-
Calculation of site-specific carbon-isotope fractionation in pedogenic oxide minerals
-
Rustad J.R., Zarzycki P. Calculation of site-specific carbon-isotope fractionation in pedogenic oxide minerals. Proc. Natl. Acad. Sci. USA 2008, 105(30):10297-10301.
-
(2008)
Proc. Natl. Acad. Sci. USA
, vol.105
, Issue.30
, pp. 10297-10301
-
-
Rustad, J.R.1
Zarzycki, P.2
-
59
-
-
68149178644
-
Iron isotope fractionation in the Earth's lower mantle
-
Rustad J.R., Yin Q.Z. Iron isotope fractionation in the Earth's lower mantle. Nat. Geosci. 2009, 2:514-518.
-
(2009)
Nat. Geosci.
, vol.2
, pp. 514-518
-
-
Rustad, J.R.1
Yin, Q.Z.2
-
60
-
-
77951623572
-
Calculation of boron-isotope fractionation between B(OH)(3)(aq) and B(OH)(4)(-)(aq)
-
Rustad J.R., Bylaska E.J., Jackson V.E., Dixon D.A. Calculation of boron-isotope fractionation between B(OH)(3)(aq) and B(OH)(4)(-)(aq). Geochim. Cosmochim. Acta 2010, 74:2843-2850.
-
(2010)
Geochim. Cosmochim. Acta
, vol.74
, pp. 2843-2850
-
-
Rustad, J.R.1
Bylaska, E.J.2
Jackson, V.E.3
Dixon, D.A.4
-
61
-
-
77957875458
-
2+(aq) with carbonate minerals
-
2+(aq) with carbonate minerals. Geochim. Cosmochim. Acta 2010, 74:6301-6323.
-
(2010)
Geochim. Cosmochim. Acta
, vol.74
, pp. 6301-6323
-
-
Rustad, J.R.1
Casey, W.H.2
Yin, Q.Z.3
Bylaska, E.J.4
Felmy, A.R.5
Bogatko, S.A.6
Jackson, V.E.7
Dixon, D.A.8
-
62
-
-
5744250509
-
Applying stable isotope fractionation theory to new systems
-
Schauble E.A. Applying stable isotope fractionation theory to new systems. Rev. Mineral. Geochem. 2004, 55:65-111.
-
(2004)
Rev. Mineral. Geochem.
, vol.55
, pp. 65-111
-
-
Schauble, E.A.1
-
63
-
-
78650938023
-
First-principles estimates of equilibrium magnesium isotope fractionation in silicate, oxide, carbonate and hexaaquamagnesium (2+) crystals
-
Schauble E.A. First-principles estimates of equilibrium magnesium isotope fractionation in silicate, oxide, carbonate and hexaaquamagnesium (2+) crystals. Geochim. Cosmochim. Acta 2011, 75:844-869.
-
(2011)
Geochim. Cosmochim. Acta
, vol.75
, pp. 844-869
-
-
Schauble, E.A.1
-
64
-
-
0034889035
-
Theoretical estimates of equilibrium Fe-isotope fractionations from vibrational spectroscopy
-
Schauble E.A., Rossman G.R., Taylor H.P. Theoretical estimates of equilibrium Fe-isotope fractionations from vibrational spectroscopy. Geochim. Cosmochim. Acta 2001, 65:2487-2497.
-
(2001)
Geochim. Cosmochim. Acta
, vol.65
, pp. 2487-2497
-
-
Schauble, E.A.1
Rossman, G.R.2
Taylor, H.P.3
-
65
-
-
33646088360
-
18O bonds in carbonate minerals, estimated using first-principles lattice dynamics
-
18O bonds in carbonate minerals, estimated using first-principles lattice dynamics. Geochim. Cosmochim. Acta 2006, 70:2510-2529.
-
(2006)
Geochim. Cosmochim. Acta
, vol.70
, pp. 2510-2529
-
-
Schauble, E.A.1
Ghosh, P.2
Eiler, J.M.3
-
66
-
-
0011083273
-
Anharmonic vibrational frequencies: an evaluation of Hartree-Fock, Møller-Plesset, Quadratic Configuration Interaction, Density Functional Theory, and semiempirical scale factors
-
Scott A.P., Radom L. Anharmonic vibrational frequencies: an evaluation of Hartree-Fock, Møller-Plesset, Quadratic Configuration Interaction, Density Functional Theory, and semiempirical scale factors. J. Phys. Chem. 1996, 100:16502-16513.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16502-16513
-
-
Scott, A.P.1
Radom, L.2
-
67
-
-
78650532881
-
Detection of oxygen isotopic anomaly in terrestrial atmospheric carbonates and its implications to mars
-
Shaheen R., Abramian A., Horn J., Dominguez G., Sullivan R., Thiemens M.H. Detection of oxygen isotopic anomaly in terrestrial atmospheric carbonates and its implications to mars. Proc. Natl. Acad. Sci. USA 2010, 107:20213-20218.
-
(2010)
Proc. Natl. Acad. Sci. USA
, vol.107
, pp. 20213-20218
-
-
Shaheen, R.1
Abramian, A.2
Horn, J.3
Dominguez, G.4
Sullivan, R.5
Thiemens, M.H.6
-
68
-
-
0020656027
-
The mass-independent fractionation of oxygen: a novel isotope effect and its possible cosmochemical implications
-
Thiemens M.H., Heidenreich J.E.I.I.I. The mass-independent fractionation of oxygen: a novel isotope effect and its possible cosmochemical implications. Science 1983, 219:1073-1075.
-
(1983)
Science
, vol.219
, pp. 1073-1075
-
-
Thiemens, M.H.1
Heidenreich, J.E.I.I.I.2
-
70
-
-
37049172817
-
The thermodynamic properties of isotopic substances
-
Urey H.C. The thermodynamic properties of isotopic substances. J. Chem. Soc. 1947, 562-581.
-
(1947)
J. Chem. Soc.
, pp. 562-581
-
-
Urey, H.C.1
-
71
-
-
10644276903
-
Equilibrium thermodynamics of multiply substituted isotopologues of molecular gases
-
Wang Z.G., Schauble E.A., Eiler J.M. Equilibrium thermodynamics of multiply substituted isotopologues of molecular gases. Geochim. Cosmochim. Acta 2004, 68:4779-4797.
-
(2004)
Geochim. Cosmochim. Acta
, vol.68
, pp. 4779-4797
-
-
Wang, Z.G.1
Schauble, E.A.2
Eiler, J.M.3
-
72
-
-
0000681004
-
2: 2nd-order scattering, lattice-dynamics, and particle-size effects
-
2: 2nd-order scattering, lattice-dynamics, and particle-size effects. Phys. Rev. B 1993, 48:178-185.
-
(1993)
Phys. Rev. B
, vol.48
, pp. 178-185
-
-
Weber, W.H.1
Hass, K.C.2
McBride, J.R.3
-
73
-
-
6344269112
-
2 exchange and stratospheric consequences
-
2 exchange and stratospheric consequences. J. Geophys. Res. 1993, 98(D7):12801-12808.
-
(1993)
J. Geophys. Res.
, vol.98
, Issue.D7
, pp. 12801-12808
-
-
Wen, J.1
Thiemens, M.H.2
-
74
-
-
0001025082
-
Anomalous or mass-independent isotope effects
-
Weston R.E. Anomalous or mass-independent isotope effects. Chem. Rev. 1999, 99:2115-2136.
-
(1999)
Chem. Rev.
, vol.99
, pp. 2115-2136
-
-
Weston, R.E.1
-
75
-
-
0001748517
-
Kinetic and equilibrium mass-dependent isotope fractionation laws in nature and their geochemical and cosmochemical significance
-
Young E.D., Galy A., Nagahara H. Kinetic and equilibrium mass-dependent isotope fractionation laws in nature and their geochemical and cosmochemical significance. Geochim. Cosmochim. Acta 2002, 66:1095-1104.
-
(2002)
Geochim. Cosmochim. Acta
, vol.66
, pp. 1095-1104
-
-
Young, E.D.1
Galy, A.2
Nagahara, H.3
-
76
-
-
0031579828
-
Carbon dioxide in the atmosphere: isotopic exchange with ozone and its use as a tracer in the middle atmosphere
-
Yung Y.L., Lee A.Y.T., Irion F.W., DeMore W.B., Wen J. Carbon dioxide in the atmosphere: isotopic exchange with ozone and its use as a tracer in the middle atmosphere. J. Geophys. Res. 1997, 102(D9):10857-10866. 10.1029/97JD00528.
-
(1997)
J. Geophys. Res.
, vol.102
, Issue.D9
, pp. 10857-10866
-
-
Yung, Y.L.1
Lee, A.Y.T.2
Irion, F.W.3
DeMore, W.B.4
Wen, J.5
-
77
-
-
68149137752
-
Hydration in solution is critical for stable oxygen isotope fractionation between carbonate ion and water
-
Zeebe R.E. Hydration in solution is critical for stable oxygen isotope fractionation between carbonate ion and water. Geochim. Cosmochim. Acta 2009, 73:5283-5291.
-
(2009)
Geochim. Cosmochim. Acta
, vol.73
, pp. 5283-5291
-
-
Zeebe, R.E.1
-
78
-
-
72149131455
-
A new value for the stable oxygen isotope fractionation between dissolved sulfate ion and water
-
Zeebe R.E. A new value for the stable oxygen isotope fractionation between dissolved sulfate ion and water. Geochim. Cosmochim. Acta 2010, 74:818-828.
-
(2010)
Geochim. Cosmochim. Acta
, vol.74
, pp. 818-828
-
-
Zeebe, R.E.1
|