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Results: 15

1.

DFT study of the reaction of a two-coordinate iron(II) dialkyl complex with molecular oxygen.

Prince BM, Cundari TR, Tymczak CJ.

J Phys Chem A. 2014 Nov 20;118(46):11056-61. doi: 10.1021/jp5082438. Epub 2014 Nov 11.

PMID:
25355170
2.

B12Hn and B12Fn: planar vs icosahedral structures.

Gonzalez Szwacki N, Tymczak CJ.

Nanoscale Res Lett. 2012 Apr 30;7:236. doi: 10.1186/1556-276X-7-236.

3.

Trace correcting density matrix extrapolation in self-consistent geometry optimization.

Niklasson AM, Challacombe M, Tymczak CJ, Németh K.

J Chem Phys. 2010 Mar 28;132(12):124104. doi: 10.1063/1.3351785.

PMID:
20370111
4.

Extended Lagrangian Born-Oppenheimer molecular dynamics with dissipation.

Niklasson AM, Steneteg P, Odell A, Bock N, Challacombe M, Tymczak CJ, Holmström E, Zheng G, Weber V.

J Chem Phys. 2009 Jun 7;130(21):214109. doi: 10.1063/1.3148075.

PMID:
19508058
5.

Time-reversible ab initio molecular dynamics.

Niklasson AM, Tymczak CJ, Challacombe M.

J Chem Phys. 2007 Apr 14;126(14):144103.

PMID:
17444697
6.

Time-reversible Born-Oppenheimer molecular dynamics.

Niklasson AM, Tymczak CJ, Challacombe M.

Phys Rev Lett. 2006 Sep 22;97(12):123001. Epub 2006 Sep 18.

PMID:
17025959
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9.

Linear scaling computation of the Fock matrix. VIII. Periodic boundaries for exact exchange at the Gamma point.

Tymczak CJ, Weber VT, Schwegler E, Challacombe M.

J Chem Phys. 2005 Mar 22;122(12):124105.

PMID:
15836367
10.

Linear scaling computation of the Fock matrix. VII. Parallel computation of the Coulomb matrix.

Gan CK, Tymczak CJ, Challacombe M.

J Chem Phys. 2004 Oct 8;121(14):6608-14.

PMID:
15473715
11.

Multiphonon excitations in boson quantum films.

Clements BE, Krotscheck E, Tymczak CJ.

Phys Rev B Condens Matter. 1996 May 1;53(18):12253-12275. No abstract available.

PMID:
9982857
12.

Excitations in a thin liquid 4He film from inelastic neutron scattering.

Clements BE, Godfrin H, Krotscheck E, Lauter HJ, Leiderer P, Passiouk V V, Tymczak CJ.

Phys Rev B Condens Matter. 1996 May 1;53(18):12242-12252. No abstract available.

PMID:
9982856
13.

Dynamics of boson quantum films.

Clements BE, Forbert H, Krotscheck E, Lauter HJ, Saarela M, Tymczak CJ.

Phys Rev B Condens Matter. 1994 Sep 1;50(10):6958-6981. No abstract available.

PMID:
9974654
14.

Dynamic structure factor of quantum liquid films.

Krotscheck E, Tymczak CJ.

Phys Rev B Condens Matter. 1992 Jan 1;45(1):217-229. No abstract available.

PMID:
10000170
15.

Asymmetric crystallization and melting kinetics in sodium: A molecular-dynamics study.

Tymczak CJ, Ray JR.

Phys Rev Lett. 1990 Mar 12;64(11):1278-1281. No abstract available.

PMID:
10041353
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