Chemistry Reference
In-Depth Information
. 46.. Lindeman,.R.;.Zundel,.G.,.Symmetry.of.hydrogen-bonds,.infrared.continuous.absorp-
tion.and.proton-transfer,.
J. Chem. Soc., Faraday Trans.
1972,
68
.(2),
979-990.
. 47.. Pankiewicz,.R.;.Wojciechowski,.G.;.Schroeder,.G.;.Brzezinski,.B.;.Bartl,.F.;.Zundel,.G.,.
FT-IR.study.of.the.nature.of.K+,.Rb+.and.Cs+.cation.motions.in.gramicidin.A,.
J. Mol.
Struct
..2001,.
565
,.213-217.
. 48.. Pietraszko,.A.;.Hilczer,.B.;.Pawlowski,.A.,.Structural.aspects.of.fast.proton.transport.in.
(NH
4
)
3
H(SeO
4
)
2
.single.crystals,.
Solid State Ionics
.1999,.
119
.(1-4),.281-288.
. 49.. Cukierman,.S.,.Proton.mobilities.in.water.and.in.different.stereoisomers.of.covalently.
linked.gramicidin.A.channels,.
Biophys. J
..2000,.
78
.(4),.1825-1834.
. 50.. Islam,.M..S.;.Davies,.R..A.;.Gales,.J..D.,.Proton.migration.and.defect.interactions.in.the.
CaZrO
3
. orthorhombic. perovskite:.A. quantum. mechanical. study,.
Chem. Mater
.. 2001,.
13
.(6),.2049-2055.
. 51.. Jude,.K..M.;.Wright,.S..K.;.Tu,.C.;.Silverman,.D..N.;.Viola,.R..E.;.Christianson,.D..W.,.
Crystal. structure. of. F65A/Y131C-methylimidazole. carbonic. anhydrase. V. reveals.
architectural. features. of. an. engineered. proton. shuttle,.
Biochemistry
. 2002,.
41
. (8),.
2485-2491.
. 52.. Laasonen,.K.;.Sprik,.M.;.Parrinello,.M.;.Car,.R.,.Ab.initio.liquid.water,.
J. Chem. Phys
..
1993,.
99
.(11),.9080-9089.
. 53.. Selloni,.A.;.Car,.R.;.Parrinello,.M.;.Carnevali,.P.,.Electron.pairing.in.dilute.liquid-metal.
metal.halide.solutions,.
J. Phys. Chem
..1987,.
91
.(19),.4947-4949.
. 54.. Fois,.E..S.;.Selloni,.A.;.Parrinello,.M.;.Car,.R.,.Bipolarons.in.metal.metal.halide.solu-
tions,.
J. Phys. Chem
..1988,.
92
.(11),.3268-3273.
. 55.. Selloni,.A.;.Fois,.E..S.;.Parrinello,.M.;.Car,.R.,.Simulation.of.electrons.in.molten-salts,.
Phys. Scr
..1989,.
T25
,.261-267.
. 56.. Sorella,.S.;.Baroni,.S.;.Car,.R.;.Parrinello,.M.,.A.novel.technique.for.the.simulation.of.
interacting.fermion.systems,.
Europhys. Lett
..1989,.
8
.(7),.663-668.
. 57.. Galli,.G.;.Martin,.R..M.;.Car,.R.;.Parrinello,.M.,.Carbon—The.nature.of.the.liquid-state,.
Phys. Rev. Lett
..1989,.
63
.(9),.988-991.
. 58.. Buda,.F.;.Chiarotti,.G..L.;.Stich,.I.;.Car,.R.;.Parrinello,.M.,.Ab.initio.molecular-dynam-
ics.of.liquid.and.amorphous-semiconductors,.
J. Non-Cryst. Solids
.1989,.
114
,.7-12.
. 59.. Car,.R.;.Parrinello,.M.,.Uniied.approach.for.molecular-dynamics.and.density-functional.
theory,.
Phys. Rev. Lett
..1985,.
55
.(22),.2471-2474.
. 60.. Marx,.D.;.Sprik,.M.;.Parrinello,.M.,.Ab.initio.molecular.dynamics.of.ion.solvation..The.
case.of.Be
2+
.in.water,.
Chem. Phys. Lett
..1997,.
273
.(5-6),.360-366.
. 61.. Marx,.D.;.Fois,.E..S.;.Parrinello,.M.,.Static.and.dynamic.density.functional.investigation.
of.hydrated.beryllium.dications,.
Int. J. Quant. Chem
..1996,.
57
.(4),.655-662.
. 62.. Silvestrelli,.P..L.;.Bernasconi,.M.;.Parrinello,.M.,.Ab.initio.infrared.spectrum.of.liquid.
water,.
Chem. Phys. Lett
..1997,.
277
.(5-6),.478-482.
. 63.. Bernasconi,.M.;.Silvestrelli,.P..L.;.Parrinello,.M.,.Ab.initio.infrared.absorption.study.of.
the.hydrogen-bond.symmetrization.in.ice,.
Phys. Rev. Lett
..1998,.
81
.(6),.1235-1238.
. 64.. Resta,. R.,. Electrical. polarization. and. orbital. magnetization:. The. modern. theories,.
J. Phys. Condens. Matter
.2010,.
22
,.123201-123219.
. 65.. Coskuner,.O.;.Jarvis,.E..A..A.;.Allison,.T..C.,.Water.dissociation.in.the.presence.of.metal.
ions,.
Angew. Chem.-Int. Ed
..2007,.
46
.(41),.7853-7855.
. 66.. Coskuner,.O.;.Allison,.T..C.,.Dynamic.and.structural.properties.of.aqueous.arsenic.solu-
tions,.
ChemPhyschem
.2009,.
10
.(8),.1187-1189.
. 67.. Kiss,.T.,.Interaction.of.aluminum.with.biomolecules—Any.relevance.to.Alzheimers.dis-
ease,.
Arch. Gerontol. Geriatr.
.1995,.
21
.(1),.99-112.
. 68.. Hu,.Y..F.;.Xu,.R..K.;.Dynes,.J..J.;.Blyth,.R..I..R.;.Yu,.G.;.Kozak,.L..M.;.Huang,.P..M.,.
Coordination.nature.of.aluminum.(oxy)hydroxides.formed.under.the.inluence.of.tan-
nic.acid.studied.by.X-ray.absorption.spectroscopy,.
Geochim. Cosmochim. Acta
.2008,.
72
.(8),.1959-1969.
Search WWH ::
Custom Search