-
1
-
-
0036194929
-
Laboratory studies of bromide oxidation in the presence of ozone: evidence for a glass-surface mediated reaction
-
Anastasio C., and Mozurkewich M. Laboratory studies of bromide oxidation in the presence of ozone: evidence for a glass-surface mediated reaction. Journal of Atmospheric Chemistry 41 (2002) 135-162
-
(2002)
Journal of Atmospheric Chemistry
, vol.41
, pp. 135-162
-
-
Anastasio, C.1
Mozurkewich, M.2
-
2
-
-
42949100748
-
Gaseous elemental mercury in the ambient atmosphere: review of the application of theoretical calculations and experimental studies for determination of reaction coefficients and mechanisms with halogens and other reactants
-
Ariya P.A., Skov H., Grage M.M.L., and Goodsite M.E. Gaseous elemental mercury in the ambient atmosphere: review of the application of theoretical calculations and experimental studies for determination of reaction coefficients and mechanisms with halogens and other reactants. Advances in Quantum Chemistry: Applications of Theoretical Methods to Atmospheric Science 55 (2008) 43-55
-
(2008)
Advances in Quantum Chemistry: Applications of Theoretical Methods to Atmospheric Science
, vol.55
, pp. 43-55
-
-
Ariya, P.A.1
Skov, H.2
Grage, M.M.L.3
Goodsite, M.E.4
-
3
-
-
0141925291
-
-2, BrCl, ClO, and BrO}
-
-2, BrCl, ClO, and BrO}. Journal of Physical Chemistry A 107 (2003) 7465-7470
-
(2003)
Journal of Physical Chemistry A
, vol.107
, pp. 7465-7470
-
-
Balabanov, N.B.1
Peterson, K.A.2
-
5
-
-
34250817103
-
A new mixing of Hartree-Fock and local density-functional theories
-
Becke A.D. A new mixing of Hartree-Fock and local density-functional theories. Journal of Chemical Physics 98 (1993) 1372-1377
-
(1993)
Journal of Chemical Physics
, vol.98
, pp. 1372-1377
-
-
Becke, A.D.1
-
6
-
-
84944675147
-
Ab initio energy-adjusted pseudopotentials for elements of groups 13-17
-
Bergner A., Dolg M., Kuechle W., Stoll H., and Preuss H. Ab initio energy-adjusted pseudopotentials for elements of groups 13-17. Molecular Physics 80 (1993) 1431-1441
-
(1993)
Molecular Physics
, vol.80
, pp. 1431-1441
-
-
Bergner, A.1
Dolg, M.2
Kuechle, W.3
Stoll, H.4
Preuss, H.5
-
7
-
-
0041825661
-
A modeling study of the mechanism of the halogen-ozone-mercury homogeneous reactions in the troposphere during the polar spring
-
Calvert J.G., and Lindberg S.E. A modeling study of the mechanism of the halogen-ozone-mercury homogeneous reactions in the troposphere during the polar spring. Atmospheric Environment 37 (2003) 4467-4481
-
(2003)
Atmospheric Environment
, vol.37
, pp. 4467-4481
-
-
Calvert, J.G.1
Lindberg, S.E.2
-
8
-
-
19544366734
-
Mechanisms of mercury removal by O-3 and OH in the atmosphere
-
Calvert J.G., and Lindberg S.E. Mechanisms of mercury removal by O-3 and OH in the atmosphere. Atmospheric Environment 39 (2005) 3355-3367
-
(2005)
Atmospheric Environment
, vol.39
, pp. 3355-3367
-
-
Calvert, J.G.1
Lindberg, S.E.2
-
9
-
-
84962420094
-
-
Chemical Review, 2000. Entire 100.
-
Chemical Review, 2000. Entire volume 100.
-
-
-
-
10
-
-
35348931003
-
Direct experimental evidence for a heterogeneous reaction of ozone with bromide at the air-aqueous interface
-
Clifford D., and Donaldson D.J. Direct experimental evidence for a heterogeneous reaction of ozone with bromide at the air-aqueous interface. Journal of Physical Chemistry A 111 (2007) 9809-9814
-
(2007)
Journal of Physical Chemistry A
, vol.111
, pp. 9809-9814
-
-
Clifford, D.1
Donaldson, D.J.2
-
11
-
-
43949164303
-
A set of F-polarization functions for pseudo-potential basis-sets of the transition-metals Sc-Cu, Y-Ag and La-Au
-
Ehlers A.W., Bohme M., Dapprich S., Gobbi A., Hollwarth A., Jonas V., Kohler K.F., Stegmann R., Veldkamp A., and Frenking G. A set of F-polarization functions for pseudo-potential basis-sets of the transition-metals Sc-Cu, Y-Ag and La-Au. Chemical Physics Letters 208 (1993) 111-114
-
(1993)
Chemical Physics Letters
, vol.208
, pp. 111-114
-
-
Ehlers, A.W.1
Bohme, M.2
Dapprich, S.3
Gobbi, A.4
Hollwarth, A.5
Jonas, V.6
Kohler, K.F.7
Stegmann, R.8
Veldkamp, A.9
Frenking, G.10
-
14
-
-
84962429776
-
-
Gaussian 03 Revision D.02, Frisch, M.J, Trucks, G.W, Schlegel, H.B, Scuseria, G.E, Robb, M.A, Cheeseman, J.R, Montgomery, J.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, Bakken, V, 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
-
Gaussian 03 (Revision D.02), Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Montgomery, J.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., Bakken, V., 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., 2006. In: Gaussian, I. (Ed.). Pittsburgh PA.
-
-
-
-
16
-
-
0347170005
-
Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular orbital studies of organic molecules
-
Hehre W.J., Ditchfield R., and Pople J.A. Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular orbital studies of organic molecules. The Journal of Chemical Physics 56 (1972) 2257-2261
-
(1972)
The Journal of Chemical Physics
, vol.56
, pp. 2257-2261
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
17
-
-
0000284144
-
Measurements of photolyzable chlorine and bromine during the Polar sunrise experiment 1995
-
Impey G.A., Shepson P.B., Hastie D.R., Barrie L.A., and Anlauf K.G. Measurements of photolyzable chlorine and bromine during the Polar sunrise experiment 1995. Journal of Geophysical Research-Atmospheres 102 (1997) 16005-16010
-
(1997)
Journal of Geophysical Research-Atmospheres
, vol.102
, pp. 16005-16010
-
-
Impey, G.A.1
Shepson, P.B.2
Hastie, D.R.3
Barrie, L.A.4
Anlauf, K.G.5
-
18
-
-
84865732662
-
Ab initio pseudopotentials for mercury through radon. I. Parameter sets and atomic calculations
-
Kuechle W., Dolg M., Stoll H., and Preuss H. Ab initio pseudopotentials for mercury through radon. I. Parameter sets and atomic calculations. Molecular Physics 74 (1991) 1245-1263
-
(1991)
Molecular Physics
, vol.74
, pp. 1245-1263
-
-
Kuechle, W.1
Dolg, M.2
Stoll, H.3
Preuss, H.4
-
19
-
-
0033151275
-
The chemistry of atmospheric mercury: a review
-
Lin C.J., and Pehkonen S.O. The chemistry of atmospheric mercury: a review. Atmospheric Environment 33 (1999) 2067-2079
-
(1999)
Atmospheric Environment
, vol.33
, pp. 2067-2079
-
-
Lin, C.J.1
Pehkonen, S.O.2
-
20
-
-
34247108756
-
A synthesis of progress and uncertainties in attributing the sources of mercury in deposition
-
Lindberg S., Bullock R., Ebinghaus R., Engstrom D., Feng X.B., Fitzgerald W., Pirrone N., Prestbo E., and Seigneur C. A synthesis of progress and uncertainties in attributing the sources of mercury in deposition. Ambio 36 (2007) 19-32
-
(2007)
Ambio
, vol.36
, pp. 19-32
-
-
Lindberg, S.1
Bullock, R.2
Ebinghaus, R.3
Engstrom, D.4
Feng, X.B.5
Fitzgerald, W.6
Pirrone, N.7
Prestbo, E.8
Seigneur, C.9
-
21
-
-
0032392664
-
On the accuracy of averaged relativistic shape-consistent pseudopotentials
-
Maron L., and Teichteil C. On the accuracy of averaged relativistic shape-consistent pseudopotentials. Chemical Physics 237 (1998) 105-122
-
(1998)
Chemical Physics
, vol.237
, pp. 105-122
-
-
Maron, L.1
Teichteil, C.2
-
22
-
-
53849143306
-
How elementary mercury react in presence of halogen radicals and/or halogen anions: a DFT investigation
-
Maron L., Dommergue A., Ferrari C.P., Delacour-Larose M., and Faïn X. How elementary mercury react in presence of halogen radicals and/or halogen anions: a DFT investigation. Chemistry - A European Journal 14 (2008) 8322-8329
-
(2008)
Chemistry - A European Journal
, vol.14
, pp. 8322-8329
-
-
Maron, L.1
Dommergue, A.2
Ferrari, C.P.3
Delacour-Larose, M.4
Faïn, X.5
-
23
-
-
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., and Tomasi J. Electrostatic interaction of a solute with a continuum - a direct utilization of Ab initio molecular potentials for the prevision of solvent effects. Chemical Physics 55 (1981) 117-129
-
(1981)
Chemical Physics
, vol.55
, pp. 117-129
-
-
Miertus, S.1
Scrocco, E.2
Tomasi, J.3
-
24
-
-
0024855872
-
Seasonal surface ozone and filterable bromine relationship in the high Arctic
-
Oltmans S.J., Schnell R.C., Sheridan P.J., Peterson R.E., Li S.M., Winchester J.W., Tans P.P., Sturges W.T., Kahl J.D., and Barrie L.A. Seasonal surface ozone and filterable bromine relationship in the high Arctic. Atmospheric Environment 23 (1989) 2431-2441
-
(1989)
Atmospheric Environment
, vol.23
, pp. 2431-2441
-
-
Oltmans, S.J.1
Schnell, R.C.2
Sheridan, P.J.3
Peterson, R.E.4
Li, S.M.5
Winchester, J.W.6
Tans, P.P.7
Sturges, W.T.8
Kahl, J.D.9
Barrie, L.A.10
-
25
-
-
0032215786
-
Bromine activation in the troposphere by the dark reaction of O-3 with seawater ice
-
Oum K.W., Lakin M.J., and Finlayson-Pitts B.J. Bromine activation in the troposphere by the dark reaction of O-3 with seawater ice. Geophysical Research Letters 25 (1998) 3923-3926
-
(1998)
Geophysical Research Letters
, vol.25
, pp. 3923-3926
-
-
Oum, K.W.1
Lakin, M.J.2
Finlayson-Pitts, B.J.3
-
26
-
-
1542510034
-
Studies of ozone initiated reactions of gaseous mercury: kinetics, product studies, and atmospheric implications
-
Pal B., and Ariya P.A. Studies of ozone initiated reactions of gaseous mercury: kinetics, product studies, and atmospheric implications. Physical Chemistry Chemical Physics 6 (2004) 572-579
-
(2004)
Physical Chemistry Chemical Physics
, vol.6
, pp. 572-579
-
-
Pal, B.1
Ariya, P.A.2
-
27
-
-
33645898818
-
Accurate and simple analytic representation of the electron-gas correlation-energy
-
Perdew J.P., and Wang Y. Accurate and simple analytic representation of the electron-gas correlation-energy. Physical Review B 45 (1992) 13244-13249
-
(1992)
Physical Review B
, vol.45
, pp. 13244-13249
-
-
Perdew, J.P.1
Wang, Y.2
-
28
-
-
0011083499
-
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
-
Reed A.E., Curtiss L.A., and Weinhold F. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint. Chemical Reviews 88 (1988) 899-926
-
(1988)
Chemical Reviews
, vol.88
, pp. 899-926
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
29
-
-
0032560764
-
Arctic springtime depletion of mercury
-
Schroeder W.H., Anlauf K.G., Barrie L.A., Lu J.Y., Steffen A., Schneeberger D.R., and Berg T. Arctic springtime depletion of mercury. Nature 394 (1998) 331-332
-
(1998)
Nature
, vol.394
, pp. 331-332
-
-
Schroeder, W.H.1
Anlauf, K.G.2
Barrie, L.A.3
Lu, J.Y.4
Steffen, A.5
Schneeberger, D.R.6
Berg, T.7
-
30
-
-
34548274637
-
Halogens and their role in polar boundary-layer ozone depletion
-
Simpson W.R., von Glasow R., Riedel K., Anderson P., Ariya P., Bottenheim J., Burrows J., Carpenter L.J., Friess U., Goodsite M.E., Heard D., Hutterli M., Jacobi H.W., Kaleschke L., Neff B., Plane J., Platt U., Richter A., Roscoe H., Sander R., Shepson P., Sodeau J., Steffen A., Wagner T., and Wolff E. Halogens and their role in polar boundary-layer ozone depletion. Atmospheric Chemistry and Physics 7 (2007) 4375-4418
-
(2007)
Atmospheric Chemistry and Physics
, vol.7
, pp. 4375-4418
-
-
Simpson, W.R.1
von Glasow, R.2
Riedel, K.3
Anderson, P.4
Ariya, P.5
Bottenheim, J.6
Burrows, J.7
Carpenter, L.J.8
Friess, U.9
Goodsite, M.E.10
Heard, D.11
Hutterli, M.12
Jacobi, H.W.13
Kaleschke, L.14
Neff, B.15
Plane, J.16
Platt, U.17
Richter, A.18
Roscoe, H.19
Sander, R.20
Shepson, P.21
Sodeau, J.22
Steffen, A.23
Wagner, T.24
Wolff, E.25
more..
-
31
-
-
52449128409
-
Effects of relative humidity and CO(g) on the O-3-initiated oxidation reaction of Hg-0(g): kinetic & product studies
-
Snider G., Raofie F., and Ariya P.A. Effects of relative humidity and CO(g) on the O-3-initiated oxidation reaction of Hg-0(g): kinetic & product studies. Physical Chemistry Chemical Physics 10 (2008) 5616-5623
-
(2008)
Physical Chemistry Chemical Physics
, vol.10
, pp. 5616-5623
-
-
Snider, G.1
Raofie, F.2
Ariya, P.A.3
-
33
-
-
0036282844
-
Molecular halogens before and during ozone depletion events in the Arctic at polar sunrise: concentrations and sources
-
Spicer C.W., Plastridge R.A., Foster K.L., Finlayson-Pitts B.J., Bottenheim J.W., Grannas A.M., and Shepson P.B. Molecular halogens before and during ozone depletion events in the Arctic at polar sunrise: concentrations and sources. Atmospheric Environment 36 (2002) 2721-2731
-
(2002)
Atmospheric Environment
, vol.36
, pp. 2721-2731
-
-
Spicer, C.W.1
Plastridge, R.A.2
Foster, K.L.3
Finlayson-Pitts, B.J.4
Bottenheim, J.W.5
Grannas, A.M.6
Shepson, P.B.7
-
34
-
-
43249086442
-
A synthesis of atmospheric mercury depletion event chemistry in the atmosphere and snow
-
Steffen A., Douglas T., Amyot M., Ariya P., Aspmo K., Berg T., Bottenheim J., Brooks S., Cobbett F., Dastoor A., Dommergue A., Ebinghaus R., Ferrari C., Gardfeldt K., Goodsite M.E., Lean D., Poulain A.J., Scherz C., Skov H., Sommar J., and Temme C. A synthesis of atmospheric mercury depletion event chemistry in the atmosphere and snow. Atmospheric Chemistry and Physics 8 (2008) 1445-1482
-
(2008)
Atmospheric Chemistry and Physics
, vol.8
, pp. 1445-1482
-
-
Steffen, A.1
Douglas, T.2
Amyot, M.3
Ariya, P.4
Aspmo, K.5
Berg, T.6
Bottenheim, J.7
Brooks, S.8
Cobbett, F.9
Dastoor, A.10
Dommergue, A.11
Ebinghaus, R.12
Ferrari, C.13
Gardfeldt, K.14
Goodsite, M.E.15
Lean, D.16
Poulain, A.J.17
Scherz, C.18
Skov, H.19
Sommar, J.20
Temme, C.21
more..
-
35
-
-
0142123481
-
Calculation of the energetics for oxidation of gas-phase elemental Hg by Br and BrO
-
Tossell J.A. Calculation of the energetics for oxidation of gas-phase elemental Hg by Br and BrO. Journal of Physical Chemistry A 107 (2003) 7804-7808
-
(2003)
Journal of Physical Chemistry A
, vol.107
, pp. 7804-7808
-
-
Tossell, J.A.1
-
36
-
-
0036786544
-
Entropy explained: the origin of some simple trends
-
Watson L.A., and Eisenstein O. Entropy explained: the origin of some simple trends. Journal of Chemical Education 79 (2002) 1269-1277
-
(2002)
Journal of Chemical Education
, vol.79
, pp. 1269-1277
-
-
Watson, L.A.1
Eisenstein, O.2
|