%!PS-Adobe-2.0 %%Creator: dvipsk 5.58f Copyright 1986, 1994 Radical Eye Software %%Title: h2pdclassVac2_dist.dvi %%Pages: 6 %%PageOrder: Ascend %%BoundingBox: 0 0 596 842 %%DocumentPaperSizes: A4 %%EndComments %DVIPSCommandLine: dvips -D300x600 h2pdclassVac2_dist %DVIPSParameters: dpi=300, comments removed %DVIPSSource: TeX output 1997.02.10:1049 %%BeginProcSet: tex.pro /TeXDict 250 dict def TeXDict begin /N{def}def /B{bind def}N /S{exch}N /X{S N}B /TR{translate}N /isls false N /vsize 11 72 mul N /hsize 8.5 72 mul N /landplus90{false}def /@rigin{isls{[0 landplus90{1 -1}{-1 1} ifelse 0 0 0]concat}if 72 Resolution div 72 VResolution div neg scale isls{landplus90{VResolution 72 div vsize mul 0 exch}{Resolution -72 div hsize mul 0}ifelse TR}if Resolution VResolution vsize -72 div 1 add mul TR[matrix currentmatrix{dup dup round sub abs 0.00001 lt{round}if} forall round exch round exch]setmatrix}N /@landscape{/isls true N}B /@manualfeed{statusdict /manualfeed true put}B /@copies{/#copies X}B 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(desorption)g(are)h(related)g(b)o(y)e(the)1021 700 y(principle)h(of)f (microscopic)g(rev)o(ersibilit)o(y)m(.)958 -195 y Fh(Jour.)24 b(Vac.)g(Sci.)g(Techn.,)f(May)i(1997)1062 752 y Fn(In)11 b(this)g(pap)q(er)h(w)o(e)f(will)f(sho)o(w)h(that)g(a)g(quan)o(tum-mec) o(hanical,)1021 802 y(six-dimensional)k(treatmen)o(t)j(of)g(the)h(n)o (uclei)f(exp)q(oses)h(sev)o(eral)1021 852 y(in)o(teresting)e(and)f(imp) q(ortan)o(t)e(prop)q(erties.)26 b(Suc)o(h)17 b(calculations)1021 902 y(b)q(ecame)24 b(p)q(ossible)g(only)f(recen)o(tly)i([5],)g(and)e (as)i(a)e(\014rst)i(ex-)1021 951 y(ample)18 b(w)o(e)i(studied)g(the)h (disso)q(ciativ)o(e)e(adsorption)h(of)f(H)1967 957 y Fi(2)2005 951 y Fn(at)1021 1001 y(the)e(\(100\))f(surface)h(of)f (palladium)e(\(for)i(the)h(geometry)f(of)f(the)1021 1051 y(\(100\))21 b(surface)h(see)g(the)g(inset)g(of)f(Fig.)f(1\).)40 b(The)22 b(emplo)o(y)o(ed)1021 1101 y(high-dimensional)d(PES)k(w)o(as)f (deriv)o(ed)g(from)f(densit)o(y)h(func-)1021 1151 y(tional)d(theory)h 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Fn(at)24 b(the)g(clean)g(Pd\(100\))f(is)h(v)o (ery)g(high)f(at)g(lo)o(w)g(kinetic)1021 1748 y(translational)f (energies)j(of)f(the)g(impinging)d(molecules)i(\(up)1021 1798 y(to)17 b(70)h(\045\),)g(and)f(that)h(it)f(decreases)j(substan)o (tially)d(when)h(the)1021 1848 y(kinetic)24 b(translational)f(energy)i (is)f(increased)h(\(to)f(25)g(\045)f(at)1021 1898 y Fg(E)1052 1904 y Ff(i)1077 1898 y Fn(=)12 b(0)p Fg(:)p Fn(1)g(eV\).)h(This)f (result)i(is)f(displa)o(y)o(ed)f(as)h(the)g(full)f(curv)o(e)h(in)1021 1948 y(Fig.)f(2;)i(it)f(is)g(in)h(fact)f(in)h(go)q(o)q(d)f(agreemen)o (t)g(with)h(exp)q(erimen)o(tal)1021 1998 y(\014ndings)i([10].)25 b(W)m(e)17 b(note)g(that)g(thermal)e(energies)j(are)f(in)f(the)1021 2047 y(just)c(noted)h(range,)g(i.e.)k(t)o(ypically)10 b Fg(E)1608 2053 y Ff(i)1633 2047 y Fe(\024)i Fn(0)p Fg(:)p Fn(1)g(eV.)g(The)h(analysis)1021 2097 y(of)f(these)j(results)f (rev)o(ealed)f(that)g(the)h(decrease)h(of)d(the)h(stic)o(king)1021 2147 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b(mo)q(des)e(so)h (that)g(the)h(sum)e(of)g(all)g(zero-p)q(oin)o(t)h(energies,)1021 1319 y(0.35)h(eV)j(p)q(er)f(H-H)g(pair)f(is)h(ev)o(en)g(larger)g(than)g (the)g(H)1932 1325 y Fi(2)1970 1319 y Fn(gas-)1021 1368 y(phase)d(v)n(alue)e(of)g(0.26)g(eV.)h(That)g(the)h(sum)e(of)h(all)e (zero-p)q(oin)o(ts)1021 1418 y(energies)j(in)f(the)h(case)g(of)f(h)o (ydrogen)g(disso)q(ciativ)o(e)g(adsorption)1021 1468 y(is)i(appro)o(ximately)d(equal)i(or)h(ev)o(en)h(higher)f(than)g(in)f (the)h(gas-)1021 1518 y(phase)i(has)g(also)f(b)q(een)i(found)f(in)f (total-energy)h(calculations)1021 1568 y(for)13 b(H)1115 1574 y Fi(2)1134 1568 y Fn(/Al\(110\))f([20])g(and)h(H)1494 1574 y Fi(2)1513 1568 y Fn(/Si\(100\))f([21],)g(where)i(v)n(alues)g(of) 1021 1617 y(0.25)c(eV/molecule)h(and)g(0.29)f(eV/molecule)h(ha)o(v)o(e) g(b)q(een)i(deter-)1021 1667 y(mined)c(at)i(the)g(top)f(of)g(the)i (barrier)f(to)f(disso)q(ciativ)o(e)h(adsorption.)1062 1717 y(Ob)o(viously)m(,)22 b(in)e(classical)h(or)g(quasi-classical)g (calculations)1021 1767 y(the)28 b(concept)h(of)e(zero-p)q(oin)o(t)h (vibrations)e(do)q(es)j(not)e(exist.)1021 1817 y(Therefore)22 b(in)e(the)h(quasi-classical)f(calculations)g(the)i(vibra-)1021 1867 y(tional)9 b(energy)i(can)g(b)q(e)g(almost)e(fully)g(transferred)j (to)f(the)g(trans-)1021 1916 y(lational)17 b(energy)k(whic)o(h)e (enables)h(the)g(molecule)e(to)i(tra)o(v)o(erse)1021 1966 y(energy)f(barriers)h(with)e(a)g(heigh)o(t)g(larger)g(than)h(its)f (initial)f(ki-)1021 2016 y(netic)j(translational)e(energy)m(.)35 b(This)19 b(is)h(actually)e(the)i(reason)1021 2066 y(wh)o(y)12 b(the)i(steering)f(e\013ect)i(is)e(absen)o(t)g(in)f(the)i (quasi-classical)e(re-)1021 2116 y(sults)19 b(\(op)q(en)h(dots)f(in)f (Fig.)g(2\):)28 b(These)20 b(vibrating)e(molecules)1021 2165 y(do)12 b(not)g(exp)q(erience)i(a)e(strong)g(energy)h(barrier)f(b) q(ecause)i(the)f(vi-)1021 2215 y(brational)e(energy)i(is)g(e\016cien)o (tly)f(transferred)i(to)e(translational)1021 2265 y(energy)m(.)1062 2315 y(The)j(analysis)e(of)g(the)h(zero-p)q(oin)o(t)g(energies)h(along) d(the)j(opti-)1021 2365 y(m)o(um)f(reaction)j(path)o(w)o(a)o(y)f(\(see) i(Fig.)e(1\))h(teac)o(hes)h(us)f(that)g(the)1021 2414 y(sum)12 b(of)h(all)g(zero-p)q(oin)o(t)g(energies)i(is)e(roughly)g (constan)o(t)h(during)1021 2464 y(the)f(disso)q(ciation.)j(This)c (appro)o(ximate)f(\\constan)o(t)h(of)f(motion")1021 2514 y(can)18 b(b)q(e)h(sim)o(ulated)d(in)h(classical)h(tra)r(jectory)h (calculations)e(b)o(y)1021 2564 y(ignoring)g(the)j(zero-p)q(oin)o(t)f (energies)h(all)e(along)g(the)i(w)o(a)o(y)m(.)32 b(As)1021 2614 y(men)o(tioned)10 b(ab)q(o)o(v)o(e,)g(this)h(strictly)h Fj(classic)n(al)f(tr)n(e)n(atment)f Fn(\(see)i(the)1021 2664 y(diamonds)c(in)i(Fig.)e(2\))i(giv)o(es)g(results)h(in)f(remark)n (able)e(agreemen)o(t)973 2823 y(3)p eop %%Page: 4 4 4 3 bop -75 -42 a Fn(with)12 b(the)g(a)o(v)o(eraged)g(quan)o(tum)e (dynamical)g(results)j(at)e(lo)o(w)g(and)-75 8 y(high)16 b(energies.)26 b(The)17 b(disagreemen)o(t)f(in)g(the)h(medium)c(energy) -75 58 y(regime)g(could)g(p)q(erhaps)i(b)q(e)g(due)f(to)g(the)g(fact)g (that)g(the)g(sum)f(of)-75 108 y(the)e(zero-p)q(oin)o(t)g(energies)g (is)f(not)h(really)e(constan)o(t)i(but)g(b)q(ecomes)-75 158 y(larger)16 b(than)h(the)g(gas-phase)g(zero-p)q(oin)o(t)f(energy)i (so)e(that)h(the)-75 208 y(quan)o(tum)c(mec)o(hanical)f(stic)o(king)i (probabilit)o(y)f(is)h(lo)o(w)o(er)g(due)g(to)-75 257 y(the)g(e\013ectiv)o(ely)h(higher)f(barriers.)-33 307 y(Our)h(results)i(clearly)e(sho)o(w)g(that)g(for)g(kinetic)h (translational)-75 357 y(energies)e(b)q(et)o(w)o(een)h(0.15)d(and)h (0.6)f(eV)h(the)h(probabilit)o(y)e(for)g(dis-)-75 407 y(so)q(ciativ)o(e)20 b(adsorption)h(is)f(reduced)i(b)o(y)f(quan)o(tum)e (e\013ects)j(b)o(y)-75 457 y(50)d(\045)g(compared)f(to)i(the)f (quasi-classical)g(result.)35 b(Th)o(us,)21 b(in)-75 506 y(con)o(trast)f(to)f(the)g(common)e(b)q(elief,)i(quan)o(tum)f (e\013ects)j(in)e(the)-75 556 y(dynamics)11 b(of)g(H)183 562 y Fi(2)214 556 y Fn(c)o(hemical)g(reactions)i(at)f(surfaces)i(are)e (clearly)-75 606 y(not)i(negligible.)-33 656 y(An)19 b(in\015uence)i(of)d(the)j(zero-p)q(oin)o(t)e(energies)i(in)e(tra)o(v)o (ersing)-75 706 y(barrier)14 b(regions)g(has)g(also)f(b)q(een)i(found)f (in)f(the)h(comparison)f(of)-75 756 y(three-dimensional)i(quan)o(tum)f (and)i(classical)g(calculations)g(of)-75 805 y(the)f(disso)q(ciativ)o (e)g(adsorption)f(of)g(H)504 811 y Fi(2)522 805 y Fn(/Cu\(111\))g([9].) 19 b(Ho)o(w)o(ev)o(er,)-75 855 y(since)10 b(these)h(calculations)e(w)o (ere)i(restricted)h(to)d(lo)o(w)g(dimensions,)-75 905 y(the)k(di\013erence)h(b)q(et)o(w)o(een)g(quan)o(tum)d(and)h(classical) h(results)g(w)o(as)-75 955 y(m)o(uc)o(h)f(less)i(pronounced)h(b)q (ecause)g(the)f(sum)e(of)h(the)h(zero-p)q(oin)o(t)-75 1005 y(energies)21 b(w)o(as)g(smaller.)35 b(F)m(rom)18 b(the)j(ab)q(o)o(v)o(e)f(discussion)g(it)g(is)-75 1054 y(clear)c(that)f(a)g(prop)q(er)i(theoretical)f(description)g(of)e(the)i (role)g(of)-75 1104 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end /@MacSetUp{userdict /md known{userdict /md get type /dicttype eq{userdict begin md length 10 add md maxlength ge{/md md dup length 20 add dict copy def}if end md begin /letter{}N /note{}N /legal{} N /od{txpose 1 0 mtx defaultmatrix dtransform S atan/pa X newpath clippath mark{transform{itransform moveto}}{transform{itransform lineto} }{6 -2 roll transform 6 -2 roll transform 6 -2 roll transform{ itransform 6 2 roll itransform 6 2 roll itransform 6 2 roll curveto}}{{ closepath}}pathforall newpath counttomark array astore /gc xdf pop ct 39 0 put 10 fz 0 fs 2 F/|______Courier fnt invertflag{PaintBlack}if}N /txpose{pxs pys scale ppr aload pop por{noflips{pop S neg S TR pop 1 -1 scale}if xflip yflip and{pop S neg S TR 180 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{pop S neg S TR pop 180 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{ppr 1 get neg ppr 0 get neg TR}if}{noflips{TR pop pop 270 rotate 1 -1 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/erasepage{}N /copypage{}N /p 3 def @MacSetUp}N /doclip{ psf$llx psf$lly psf$urx psf$ury currentpoint 6 2 roll newpath 4 copy 4 2 roll moveto 6 -1 roll S lineto S lineto S lineto closepath clip newpath moveto}N /endTexFig{end psf$SavedState restore}N /@beginspecial{SDict begin /SpecialSave save N gsave normalscale currentpoint TR @SpecialDefaults count /ocount X /dcount countdictstack N}N /@setspecial {CLIP 1 eq{newpath 0 0 moveto hs 0 rlineto 0 vs rlineto hs neg 0 rlineto closepath clip}if ho vo TR hsc vsc scale ang rotate rwiSeen{rwi urx llx sub div rhiSeen{rhi ury lly sub div}{dup}ifelse scale llx neg lly neg TR }{rhiSeen{rhi ury lly sub div dup scale llx neg lly neg TR}if}ifelse CLIP 2 eq{newpath llx lly moveto urx lly lineto urx ury lineto llx ury lineto closepath clip}if /showpage{}N /erasepage{}N /copypage{}N newpath }N /@endspecial{count ocount sub{pop}repeat countdictstack dcount sub{ end}repeat grestore SpecialSave restore end}N /@defspecial{SDict begin} N /@fedspecial{end}B /li{lineto}B /rl{rlineto}B /rc{rcurveto}B /np{ /SaveX currentpoint /SaveY X N 1 setlinecap newpath}N /st{stroke SaveX SaveY moveto}N /fil{fill SaveX SaveY moveto}N /ellipse{/endangle X /startangle X /yrad X /xrad X /savematrix matrix currentmatrix N TR xrad yrad scale 0 0 1 startangle endangle arc savematrix setmatrix}N end TeXDict begin 39158280 55380996 1000 300 300 (/f22/a/axel/for/moldyn/Traj/traj1run4.dvi) @start /Fa 1 26 df<07E000011FF800013FFE0001781F000360078003C001E006C000F81E80007FFC80001FF880 0007E0000000000000000007E000011FF800013FFE0001781F000360078003C001E006C000F81E 80007FFC80001FF8800007E020167D9727>25 D E end TeXDict begin 1 0 bop 354 1389 a @beginspecial 140 @vscale 140 @hscale -90 @angle 500 @voffset -430 @hoffset @setspecial /Boxd { /yc2 exch def /xc2 exch def /yc1 exch def /xc1 exch def newpath xc1 yc1 moveto xc2 yc1 lineto xc2 yc2 lineto xc1 yc2 lineto closepath } bind def /Logo { /yy exch def /xx exch def /Times-Roman findfont 9 scalefont setfont /lwi (BALSAC 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437.04 5.36 1 CBall % 101 345.29 437.04 (13) Mark 349.45 506.37 5.36 1 CBall % 94 349.45 506.37 ( 6) Mark 348.25 382.73 5.36 1 CBall % 104 348.25 382.73 (16) Mark 349.01 382.16 5.36 2 CBall % 167 349.01 382.16 (38) Mark 344.02 456.74 5.36 1 CBall % 100 344.02 456.74 (12) Mark 340.50 369.41 5.36 1 CBall % 112 340.50 369.41 (24) Mark 345.54 352.34 5.36 1 CBall % 117 345.54 352.34 (29) Mark 347.34 359.76 5.36 2 CBall % 162 347.34 359.76 (33) Mark 346.49 499.18 5.36 2 CBall % 135 346.49 499.18 ( 6) Mark 345.77 486.77 5.37 1 CBall % 99 345.77 486.77 (11) Mark 345.44 517.60 5.37 2 CBall % 136 345.44 517.60 (7) Mark 341.40 366.82 5.37 2 CBall % 148 341.40 366.82 (19) Mark 350.72 320.31 5.37 1 CBall % 123 350.72 320.31 (35) Mark 345.30 494.31 5.37 2 CBall % 137 345.30 494.31 ( 8) Mark 341.31 395.87 5.37 1 CBall % 119 341.31 395.87 (31) Mark 344.61 502.21 5.37 1 CBall % 96 344.61 502.21 ( 8) Mark 344.33 524.77 5.37 1 CBall % 98 344.33 524.77 (10) Mark 344.33 516.81 5.37 2 CBall % 139 344.33 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y(Fig.)e(3C)f(\(see)g(text\).)16 b(Upp)q(er)c(panel:)18 b(snapshots)12 b(of)f(the)h(tra)r(jectories)1021 1044 y(whic)o(h)g(are)e(tak)o(en)i(appro)o(ximately)i(ev)o(ery)d(150)g (fs)g(and)g(consecutiv)o(ely)1021 1089 y(n)o(um)o(b)q(ered.)19 b(Lo)o(w)o(er)13 b(panel:)20 b(tra)r(jectories)14 b(in)g(the)g Fd(xz)r Fl(-plane;)g(for)f(the)1021 1135 y(sak)o(e)j(of)g(clarit)o(y)h (the)g(tra)r(jectories)g(are)f(shifted)h(in)f(the)g Fd(z)r Fl(-direction)1021 1181 y(with)d(resp)q(ect)h(to)f(eac)o(h)g(other.) 1021 1312 y Fn(grees)21 b(of)f(freedom.)36 b(Quan)o(tum)18 b(mec)o(hanically)g(the)j(trapp)q(ed)1021 1362 y(molecules)12 b(corresp)q(ond)j(to)e(metastable)g(states)h(at)f(the)h(surface)1021 1412 y(whic)o(h)d(only)g(exist)g(for)g(certain)h(discrete)h(energies;)g (in)e(addition,)1021 1462 y(only)g(discrete)i(v)n(alues)e(for)g(the)h (energy)h(and)e(momen)o(tum)d(trans-)1021 1512 y(fer)15 b(are)h(allo)o(w)o(ed.)k(Th)o(us)c(only)e(for)h(particular)g(initial)e (energies)1021 1562 y(the)i(dynamical)c(trapping)j(in)o(to)f(these)j (so-called)d(selectiv)o(e)i(ad-)1021 1611 y(sorption)g(resonances)i(is) e(p)q(ossible)g([13,14].)k(As)d(men)o(tioned)d(in)1021 1661 y(the)j(discussion)g(of)f(Fig.)g(2,)g(these)i(resonances)h(in)d (addition)f(to)1021 1711 y(the)i(op)q(ening)g(up)g(of)f(scattering)i(c) o(hannels)g(lead)e(to)h(the)h(sharp)1021 1761 y(p)q(eaks)d(in)g(the)g (quan)o(tum-mec)o(hanical)d(stic)o(king)i(probabilit)o(y)m(.)1062 1811 y(In)i(conclusion,)f(w)o(e)g(ha)o(v)o(e)h(sho)o(wn)f(that)g(there) i(are)f(large)f(dif-)1021 1860 y(ferences)i(b)q(et)o(w)o(een)f (classical)f(and)g(quan)o(tum)e(dynamics)h(of)g(h)o(y-)1021 1910 y(drogen.)35 b(The)19 b(classical)g(results)i(do)e(not)g(sho)o(w)g (an)o(y)g(oscilla-)1021 1960 y(tory)h(structure)i(whic)o(h)e(in)g(the)h (quan)o(tum)e(dynamics)f(is)i(due)1021 2010 y(to)f(the)g(op)q(ening)g (up)g(of)g(new)g(scattering)h(c)o(hannels)f(and)g(res-)1021 2060 y(onances.)31 b(Ev)o(en)18 b(more)f(remark)n(able,)g(zero-p)q(oin) o(t)h(e\013ects)i(can)1021 2109 y(cause)c(substan)o(tial)f(deviations)g (b)q(et)o(w)o(een)i(classical)e(and)g Fj(aver-)1021 2159 y(age)n(d)e Fn(quan)o(tum)e(dynamical)f(calculations.)16 b(A)d(corrugated)g(and)1021 2209 y(anisotropic)f(p)q(oten)o(tial)f (energy)i(surface)g(leads)f(to)g(the)g(building)1021 2259 y(up)19 b(of)f(zero-p)q(oin)o(t)h(energies)g(whic)o(h)g (e\013ectiv)o(ely)g(increase)h(the)1021 2309 y(minim)n(um)15 b(p)q(oten)o(tial)j(in)h(the)h(quan)o(tum)d(calculations.)33 b(This)1021 2359 y(can)15 b(c)o(hange)h(the)f(dynamics)f(of)g(c)o (hemical)g(reactions)i(not)f(only)1021 2408 y(quan)o(titativ)o(ely)m(,) g(but)j(also)e(qualitativ)o(ely)m(,)f(and)i(th)o(us)g(strongly)1021 2458 y(a\013ects)e(the)e(rate)h(constan)o(ts)h(of)d(catalytic)h (reactions)h(in)o(v)o(olving)1021 2508 y(h)o(ydrogen.)25 b(These)18 b(zero-p)q(oin)o(t)e(e\013ects)j(will)14 b(also)i(b)q(e)h (relev)n(an)o(t)1021 2558 y(for)11 b(other)i(studies)g(of)e(h)o (ydrogen)h(dynamics)f(in)g(corrugated)i(p)q(o-)1021 2608 y(ten)o(tials,)c(lik)o(e)g(for)g(example)f(in)h(h)o(ydrogen)h (di\013usion)f(on)g(surfaces)1021 2657 y(or)j(in)h(the)g(bulk.)k(If,)12 b(ho)o(w)o(ev)o(er,)h(the)g(sum)f(of)g(the)h(zero-p)q(oin)o(t)g(en-)973 2823 y(5)p eop %%Page: 6 6 6 5 bop -75 -42 a Fn(ergies)14 b(is)f(appro)o(ximately)d(constan)o(t)j (during)g(the)h(tra)o(v)o(ersing)f(of)-75 8 y(regions)k(with)g(energy)h (barriers,)h(whic)o(h)e(for)g(h)o(ydrogen)g(disso-)-75 58 y(ciation)d(on)g(surfaces)i(seems)f(to)f(b)q(e)i(the)f(case)g(for)g (a)f(wide)h(class)-75 108 y(of)e(systems,)g(the)h(discrepancies)i(b)q (et)o(w)o(een)f(classical)e(and)g(a)o(v)o(er-)-75 158 y(aged)e(quan)o(tum)f(dynamics)g(can)i(b)q(e)g(diminished)e(b)o(y)h (neglecting)-75 208 y(zero-p)q(oin)o(t)j(energies)h(in)f(the)g(initial) e(conditions.)p -75 317 1022 2 v -59 537 a([1])j(B.)h(Hammer,)d(M.)i (Sc)o(he\017er,)h(K.W.)f(Jacobsen,)h(and)f(J.K.)1 586 y(N\034rsk)o(o)o(v,)e(Ph)o(ys.)h(Rev.)g(Lett.)g Fc(73)f Fn(1400)g(\(1994\).)-59 636 y([2])i(J.A.)j(White,)i(D.M.)d(Bird,)j (M.C.)d(P)o(a)o(yne,)j(and)e(I.)h(Stic)o(h,)1 685 y(Ph)o(ys.)14 b(Rev.)f(Lett.)h Fc(73)g Fn(1404)f(\(1994\).)-59 734 y([3])i(B.)j(Hammer)d(and)i(M.)g(Sc)o(he\017er,)h(Ph)o(ys.)g(Rev.)e (Lett.)i Fc(74)p Fn(,)1 784 y(3487)13 b(\(1995\).)-59 833 y([4])i(S.)25 b(Wilk)o(e)e(and)i(M.)f(Sc)o(he\017er,)29 b(Surf.)24 b(Sci.)g Fc(329)p Fn(,)j(L605)1 882 y(\(1995\);)13 b(Ph)o(ys.)h(Rev.)f(B)h Fc(53)p Fn(,)f(4926)g(\(1996\).)-59 932 y([5])i(A.)9 b(Gross,)i(S.)e(Wilk)o(e,)f(and)i(M.)f(Sc)o(he\017er,) i(Ph)o(ys.)e(Rev.)g(Lett.)1 981 y Fc(75)p Fn(,)k(2718)g(\(1995\).)-59 1030 y([6])i(C.)d(Engdahl)f(and)h(U.)g(Nielsen,)g(J.)g(Chem.)f(Ph)o (ys.)h Fc(98)p Fn(,)f(4223)1 1079 y(\(1993\).)-59 1129 y([7])k(C.)g(Chiang)g(and)h(B.)f(Jac)o(kson,)h(J.)g(Chem.)e(Ph)o(ys.)i Fc(87)p Fn(,)f(549)1 1178 y(\(1987\).)-59 1227 y([8])g(M.)e(Ka)o(y)m(,) f(G.R.)g(Darling,)f(S.)i(Hollo)o(w)o(a)o(y)m(,)e(J.A.)i(White,)f(and)1 1277 y(D.M.)h(Bird,)h(Chem.)e(Ph)o(ys.)i(Lett.)g Fc(245)p Fn(,)f(311)g(\(1995\).)-59 1326 y([9])i(A.D.)g(Kinnersley)m(,)g(G.R.)f (Darling,)g(S.)h(Hollo)o(w)o(a)o(y)m(,)e(and)i(B.)1 1375 y(Hammer,)c(Surf.)j(Sci.)f Fc(364)p Fn(,)g(219)g(\(1996\).)-75 1425 y([10])i(K.)c(D.)f(Rendulic,)g(G.)g(Anger,)i(and)e(A.)h(Winkler,)f (Surf.)h(Sci.)1 1474 y Fc(208)p Fn(,)i(404)g(\(1989\).)-75 1523 y([11])i(M.)20 b(Beutl,)i(M.)e(Riedler,)h(and)f(K.D.)f(Rendulic,)j (Chem.)1 1573 y(Ph)o(ys.)14 b(Lett.)g Fc(247)p Fn(,)f(249)g(\(1995\)) -75 1622 y([12])i(D.)i(W)m(etzig,)g(R.)g(Dopheide,)h(M.)f(Rutk)o(o)o (wski,)f(R.)h(Da)o(vid,)1 1671 y(and)d(H.)g(Zac)o(harias,)f(Ph)o(ys.)h (Rev.)f(Lett.)h Fc(76)p Fn(,)f(463)g(\(1996\).)-75 1721 y([13])i(G.R.)h(Darling)h(and)h(S.)g(Hollo)o(w)o(a)o(y)m(,)e(J.)i (Chem.)e(Ph)o(ys.)i Fc(93)1 1770 y Fn(\(1990\))13 b(9145.)-75 1819 y([14])i(I.)i(Esterman)g(and)g(O.)g(Stern,)h(Z.)f(Ph)o(ys.)g Fc(61)p Fn(,)h(95)e(\(1930\);)1 1869 y(R.)d(F)m(risc)o(h)h(and)g(O.)g (Stern,)g(Z.)g(Ph)o(ys.)g Fc(84)p Fn(,)f(430)g(\(1933\).)-75 1918 y([15])i(E.)f(G.)f(McRae,)g(Rev.)h(Mo)q(d.)f(Ph)o(ys.)h Fc(51)p Fn(,)f(541)g(\(1979\).)-75 1967 y([16])i(J.)h(B.)h(P)o(endry)m (,)g Fj(L)n(ow)f(ener)n(gy)i(ele)n(ctr)n(on)e(di\013r)n(action)p Fn(,)h(Aca-)1 2016 y(demic)c(Press,)i(London)f(\(1974\),)e(p.)i(112.) -75 2066 y([17])h(J.M.)22 b(Bo)o(wman.)e(B.)i(Gazdy)m(,)h(and)f(Q.)g (Sun,)i(J.)e(Chem.)1 2115 y(Ph)o(ys.)14 b Fc(91)p Fn(,)f(2859)g (\(1989\).)-75 2164 y([18])i(W.)20 b(H.)g(Miller,)h(W.)e(L.)h(Hase,)i (and)e(C.)g(L.)g(Darling,)g(J.)1 2214 y(Chem.)13 b(Ph)o(ys.)h Fc(91)p Fn(,)f(2863)g(\(1989\).)-75 2263 y([19])i(A.)h(Gross)g(and)f (M.)h(Sc)o(he\017er,)h(Chem.)d(Ph)o(ys.)i(Lett.)g Fc(256)p Fn(,)1 2312 y(417)d(\(1996\).)-75 2362 y([20])i(B.)10 b(Hammer,)e(K.W.)g(Jacobsen)j(and)f(J.K.)f(N\034rsk)o(o)o(v,)h(Ph)o (ys.)1 2411 y(Rev.)k(Lett.)g Fc(69)p Fn(,)f(1971)g(\(1992\).)-75 2460 y([21])i(P)m(.)i(Kratzer,)j(B.)d(Hammer,)f(and)h(J.K.)h(N\034rsk)o (o)o(v,)g(Chem.)1 2510 y(Ph)o(ys.)12 b(Lett.)f Fc(229)p Fn(,)g(645)g(\(1994\);)f(Ph)o(ys.)i(Rev.)e Fc(B)j(51)p Fn(,)e(13432)1 2559 y(\(1995\).)-75 2608 y([22])k Fj(The)d(The)n(ory)g (of)g(Chemic)n(al)g(R)n(e)n(actions)h(Dynamics)p Fn(,)e(ed.)g(b)o(y)1 2658 y(D.)i(C.)h(Clary)m(,)e(Reidel,)h(Dordrec)o(h)o(t,)h(1986.)1021 -42 y([23])h(G.)e(R.)f(Darling)g(and)i(S.)f(Hollo)o(w)o(a)o(y)m(,)d (Surf.)j(Sci.)g Fc(268)p Fn(,)g(L305)1097 8 y(\(1992\).)973 2823 y(6)p eop %%Trailer end userdict /end-hook known{end-hook}if %%EOF