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Items: 20

1.

Light curves of the neutron star merger GW170817/SSS17a: Implications for r-process nucleosynthesis.

Drout MR, Piro AL, Shappee BJ, Kilpatrick CD, Simon JD, Contreras C, Coulter DA, Foley RJ, Siebert MR, Morrell N, Boutsia K, Di Mille F, Holoien TW, Kasen D, Kollmeier JA, Madore BF, Monson AJ, Murguia-Berthier A, Pan YC, Prochaska JX, Ramirez-Ruiz E, Rest A, Adams C, Alatalo K, Bañados E, Baughman J, Beers TC, Bernstein RA, Bitsakis T, Campillay A, Hansen TT, Higgs CR, Ji AP, Maravelias G, Marshall JL, Bidin CM, Prieto JL, Rasmussen KC, Rojas-Bravo C, Strom AL, Ulloa N, Vargas-González J, Wan Z, Whitten DD.

Science. 2017 Dec 22;358(6370):1570-1574. doi: 10.1126/science.aaq0049. Epub 2017 Oct 16.

PMID:
29038375
2.

Early spectra of the gravitational wave source GW170817: Evolution of a neutron star merger.

Shappee BJ, Simon JD, Drout MR, Piro AL, Morrell N, Prieto JL, Kasen D, Holoien TW, Kollmeier JA, Kelson DD, Coulter DA, Foley RJ, Kilpatrick CD, Siebert MR, Madore BF, Murguia-Berthier A, Pan YC, Prochaska JX, Ramirez-Ruiz E, Rest A, Adams C, Alatalo K, Bañados E, Baughman J, Bernstein RA, Bitsakis T, Boutsia K, Bravo JR, Di Mille F, Higgs CR, Ji AP, Maravelias G, Marshall JL, Placco VM, Prieto G, Wan Z.

Science. 2017 Dec 22;358(6370):1574-1578. doi: 10.1126/science.aaq0186. Epub 2017 Oct 16.

PMID:
29038374
3.

Electromagnetic evidence that SSS17a is the result of a binary neutron star merger.

Kilpatrick CD, Foley RJ, Kasen D, Murguia-Berthier A, Ramirez-Ruiz E, Coulter DA, Drout MR, Piro AL, Shappee BJ, Boutsia K, Contreras C, Di Mille F, Madore BF, Morrell N, Pan YC, Prochaska JX, Rest A, Rojas-Bravo C, Siebert MR, Simon JD, Ulloa N.

Science. 2017 Dec 22;358(6370):1583-1587. doi: 10.1126/science.aaq0073. Epub 2017 Oct 16.

PMID:
29038369
4.

Swope Supernova Survey 2017a (SSS17a), the optical counterpart to a gravitational wave source.

Coulter DA, Foley RJ, Kilpatrick CD, Drout MR, Piro AL, Shappee BJ, Siebert MR, Simon JD, Ulloa N, Kasen D, Madore BF, Murguia-Berthier A, Pan YC, Prochaska JX, Ramirez-Ruiz E, Rest A, Rojas-Bravo C.

Science. 2017 Dec 22;358(6370):1556-1558. doi: 10.1126/science.aap9811. Epub 2017 Oct 16.

PMID:
29038368
5.

Cations or Radicals? Inherent Reactivity of Biosynthetic Intermediates in the B-Ring Formation of Rotenoid Natural Products.

Kirkpatrick AK, Siebert MR.

J Phys Chem A. 2016 Apr 21;120(15):2372-9. doi: 10.1021/acs.jpca.5b12367. Epub 2016 Apr 7.

PMID:
27014924
6.

Conjugate Addition/[3,3] Sigmatropic Shift Processes for Formation of Medium-Ring Cyclic Amines - Do They Circumvent the Woodward-Hoffmann Rules?

Painter PP, Siebert MR, Tantillo DJ.

J Org Chem. 2015 Dec 4;80(23):11699-705. doi: 10.1021/acs.joc.5b00996. Epub 2015 Jul 24.

PMID:
26168077
7.

Direct dynamics simulation of the activation and dissociation of 1,5-dinitrobiuret (HDNB).

Sun R, Siebert MR, Xu L, Chambreau SD, Vaghjiani GL, Lischka H, Liu J, Hase WL.

J Phys Chem A. 2014 Mar 27;118(12):2228-36. doi: 10.1021/jp5002622. Epub 2014 Mar 17.

PMID:
24571276
8.

Direct dynamics simulations of the product channels and atomistic mechanisms for the OH(-) + CH3I reaction. Comparison with experiment.

Xie J, Sun R, Siebert MR, Otto R, Wester R, Hase WL.

J Phys Chem A. 2013 Aug 15;117(32):7162-78. doi: 10.1021/jp4008027. Epub 2013 Apr 9.

PMID:
23514259
9.

Evaluating the Accuracy of Hessian Approximations for Direct Dynamics Simulations.

Zhuang Y, Siebert MR, Hase WL, Kay KG, Ceotto M.

J Chem Theory Comput. 2013 Jan 8;9(1):54-64. doi: 10.1021/ct300573h. Epub 2012 Nov 28.

PMID:
26589009
10.

Reaction dynamics of temperature-variable anion water clusters studied with crossed beams and by direct dynamics.

Otto R, Xie J, Brox J, Trippel S, Stei M, Best T, Siebert MR, Hase WL, Wester R.

Faraday Discuss. 2012;157:41-57; discussion 113-40.

PMID:
23230763
11.

Mechanism of thiolate-disulfide exchange: addition-elimination or effectively S(N)2? Effect of a shallow intermediate in gas-phase direct dynamics simulations.

Paranjothy M, Siebert MR, Hase WL, Bachrach SM.

J Phys Chem A. 2012 Nov 29;116(47):11492-9. doi: 10.1021/jp307795j. Epub 2012 Nov 13.

PMID:
23116226
12.

Gas-Phase Chemical Dynamics Simulations on the Bifurcating Pathway of the Pimaradienyl Cation Rearrangement: Role of Enzymatic Steering in Abietic Acid Biosynthesis.

Siebert MR, Manikandan P, Sun R, Tantillo DJ, Hase WL.

J Chem Theory Comput. 2012 Apr 10;8(4):1212-22. doi: 10.1021/ct300037p. Epub 2012 Mar 30.

PMID:
26596738
13.

Computational prediction of 1H and 13C chemical shifts: a useful tool for natural product, mechanistic, and synthetic organic chemistry.

Lodewyk MW, Siebert MR, Tantillo DJ.

Chem Rev. 2012 Mar 14;112(3):1839-62. doi: 10.1021/cr200106v. Epub 2011 Nov 17. Review. No abstract available.

PMID:
22091891
14.

The need for enzymatic steering in abietic acid biosynthesis: gas-phase chemical dynamics simulations of carbocation rearrangements on a bifurcating potential energy surface.

Siebert MR, Zhang J, Addepalli SV, Tantillo DJ, Hase WL.

J Am Chem Soc. 2011 Jun 1;133(21):8335-43. doi: 10.1021/ja201730y. Epub 2011 May 6.

PMID:
21548620
15.

Differentiating mechanistic possibilities for the thermal, intramolecular [2 + 2] cycloaddition of allene-ynes.

Siebert MR, Osbourn JM, Brummond KM, Tantillo DJ.

J Am Chem Soc. 2010 Sep 1;132(34):11952-66. doi: 10.1021/ja102848z.

PMID:
20687581
16.

Sandwich compounds of transition metals with cyclopolyenes and isolobal boron analogues.

Gribanova TN, Starikov AG, Minyaev RM, Minkin VI, Siebert MR, Tantillo DJ.

Chemistry. 2010 Feb 15;16(7):2272-81. doi: 10.1002/chem.200902004.

PMID:
20029919
17.

[3,3]-Sigmatropic shifts of N-allylhydrazones: quantum chemical comparison of concerted and radical cation pathways.

Siebert MR, Tantillo DJ.

Org Lett. 2008 Aug 7;10(15):3219-22. doi: 10.1021/ol801107j. Epub 2008 Jun 27.

PMID:
18582074
18.

Cycloaddition/Ring opening reaction sequences of N-alkenyl aziridines: influence of the aziridine nitrogen on stereoselectivity.

Siebert MR, Yudin AK, Tantillo DJ.

Org Lett. 2008 Jan 3;10(1):57-60. Epub 2007 Dec 4.

PMID:
18052185
19.

Transition-state complexation in palladium-promoted [3,3] sigmatropic shifts.

Siebert MR, Tantillo DJ.

J Am Chem Soc. 2007 Jul 18;129(28):8686-7. Epub 2007 Jun 22. No abstract available.

PMID:
17585765

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