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Items: 18

1.

Imaging nucleophilic substitution dynamics.

Mikosch J, Trippel S, Eichhorn C, Otto R, Lourderaj U, Zhang JX, Hase WL, Weidemüller M, Wester R.

Science. 2008 Jan 11;319(5860):183-6. doi: 10.1126/science.1150238.

2.

Slice imaging of the photodissociation of acetaldehyde at 248 nm. Evidence of a roaming mechanism.

Rubio-Lago L, Amaral GA, Arregui A, Izquierdo JG, Wang F, Zaouris D, Kitsopoulos TN, Bañares L.

Phys Chem Chem Phys. 2007 Dec 14;9(46):6123-7. doi: 10.1039/b708310f.

PMID:
18167587
3.

The transition state of the f + h2 reaction.

Manolopoulos DE, Stark K, Werner HJ, Arnold DW, Bradforth SE, Neumark DM.

Science. 1993 Dec 17;262(5141):1852-5.

PMID:
17829631
4.

Ab initio methods for reactive potential surfaces.

Harding LB, Klippenstein SJ, Jasper AW.

Phys Chem Chem Phys. 2007 Aug 21;9(31):4055-70.

PMID:
17687458
6.

A direct dynamics trajectory study of F- + CH(3)OOH reactive collisions reveals a major non-IRC reaction path.

López JG, Vayner G, Lourderaj U, Addepalli SV, Kato S, deJong WA, Windus TL, Hase WL.

J Am Chem Soc. 2007 Aug 15;129(32):9976-85.

PMID:
17658801
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9.

Photodissociation of acetaldehyde as a second example of the roaming mechanism.

Houston PL, Kable SH.

Proc Natl Acad Sci U S A. 2006 Oct 31;103(44):16079-82.

10.

A classical trajectory study of the photodissociation of T1 acetaldehyde: the transition from impulsive to statistical dynamics.

Thompson KC, Crittenden DL, Kable SH, Jordan MJ.

J Chem Phys. 2006 Jan 28;124(4):044302.

PMID:
16460157
11.

Heats of formation of xenon fluorides and the fluxionality of XeF(6) from high level electronic structure calculations.

Dixon DA, de Jong WA, Peterson KA, Christe KO, Schrobilgen GJ.

J Am Chem Soc. 2005 Jun 22;127(24):8627-34.

PMID:
15954767
12.

Velocity-map imaging study of the photodissociation of acetaldehyde.

Cruse HA, Softley TP.

J Chem Phys. 2005 Mar 22;122(12):124303.

PMID:
15836374
13.

Ab initio potential energy and dipole moment surfaces for H5O2 +.

Huang X, Braams BJ, Bowman JM.

J Chem Phys. 2005 Jan 22;122(4):44308. Erratum in: J Chem Phys. 2007 Sep 7;127(9):099904.

PMID:
15740249
14.

The roaming atom: straying from the reaction path in formaldehyde decomposition.

Townsend D, Lahankar SA, Lee SK, Chambreau SD, Suits AG, Zhang X, Rheinecker J, Harding LB, Bowman JM.

Science. 2004 Nov 12;306(5699):1158-61.

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16.

How enzymes work: analysis by modern rate theory and computer simulations.

Garcia-Viloca M, Gao J, Karplus M, Truhlar DG.

Science. 2004 Jan 9;303(5655):186-95. Review.

PMID:
14716003
17.

A SN2 reaction that avoids its deep potential energy minimum.

Sun L, Song K, Hase WL.

Science. 2002 May 3;296(5569):875-8.

18.

Catalysis research of relevance to carbon management: progress, challenges, and opportunities.

Arakawa H, Aresta M, Armor JN, Barteau MA, Beckman EJ, Bell AT, Bercaw JE, Creutz C, Dinjus E, Dixon DA, Domen K, DuBois DL, Eckert J, Fujita E, Gibson DH, Goddard WA, Goodman DW, Keller J, Kubas GJ, Kung HH, Lyons JE, Manzer LE, Marks TJ, Morokuma K, Nicholas KM, Periana R, Que L, Rostrup-Nielson J, Sachtler WM, Schmidt LD, Sen A, Somorjai GA, Stair PC, Stults BR, Tumas W.

Chem Rev. 2001 Apr;101(4):953-96.

PMID:
11709862
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