Belof JL - Search Results

1

Evidence for substrate preorganization in the peptidylglycine α-amidating monooxygenase reaction describing the contribution of ground state structure to hydrogen tunneling.

McIntyre NR, Lowe EW Jr, Belof JL, Ivkovic M, Shafer J, Space B, Merkler DJ. McIntyre NR, et al. Among authors: belof jl. J Am Chem Soc. 2010 Nov 24;132(46):16393-402. doi: 10.1021/ja1019194. Epub 2010 Nov 2. J Am Chem Soc. 2010. PMID: 21043511 Free PMC article.

2

On the mechanism of hydrogen storage in a metal-organic framework material.

Belof JL, Stern AC, Eddaoudi M, Space B. Belof JL, et al. J Am Chem Soc. 2007 Dec 12;129(49):15202-10. doi: 10.1021/ja0737164. Epub 2007 Nov 14. J Am Chem Soc. 2007. PMID: 17999501

3

Understanding hydrogen sorption in a polar metal-organic framework with constricted channels.

Stern AC, Belof JL, Eddaoudi M, Space B. Stern AC, et al. Among authors: belof jl. J Chem Phys. 2012 Jan 21;136(3):034705. doi: 10.1063/1.3668138. J Chem Phys. 2012. PMID: 22280775

4

A Polarizable and Transferable PHAST N2 Potential for Use in Materials Simulation.

Cioce CR, McLaughlin K, Belof JL, Space B. Cioce CR, et al. Among authors: belof jl. J Chem Theory Comput. 2013 Dec 10;9(12):5550-7. doi: 10.1021/ct400526a. Epub 2013 Nov 22. J Chem Theory Comput. 2013. PMID: 26592288

5

An Accurate and Transferable Intermolecular Diatomic Hydrogen Potential for Condensed Phase Simulation.

Belof JL, Stern AC, Space B. Belof JL, et al. J Chem Theory Comput. 2008 Aug;4(8):1332-7. doi: 10.1021/ct800155q. J Chem Theory Comput. 2008. PMID: 26631708

6

A molecular H2 potential for heterogeneous simulations including polarization and many-body van der Waals interactions.

McLaughlin K, Cioce CR, Belof JL, Space B. McLaughlin K, et al. Among authors: belof jl. J Chem Phys. 2012 May 21;136(19):194302. doi: 10.1063/1.4717705. J Chem Phys. 2012. PMID: 22612090

7

Efficient calculation of many-body induced electrostatics in molecular systems.

McLaughlin K, Cioce CR, Pham T, Belof JL, Space B. McLaughlin K, et al. Among authors: belof jl. J Chem Phys. 2013 Nov 14;139(18):184112. doi: 10.1063/1.4829144. J Chem Phys. 2013. PMID: 24320259

8

Hydrogen adsorbed in a metal organic framework-5: coupled translation-rotation eigenstates from quantum five-dimensional calculations.

Matanović I, Belof JL, Space B, Sillar K, Sauer J, Eckert J, Bačić Z. Matanović I, et al. Among authors: belof jl. J Chem Phys. 2012 Jul 7;137(1):014701. doi: 10.1063/1.4730906. J Chem Phys. 2012. PMID: 22779674

9

Characterization of Tunable Radical Metal-Carbenes: Key Intermediates in Catalytic Cyclopropanation.

Belof JL, Cioce CR, Xu X, Zhang XP, Space B, Woodcock HL. Belof JL, et al. Organometallics. 2011 Apr 29;30(10):2739-2746. doi: 10.1021/om2001348. Organometallics. 2011. PMID: 21643517 Free PMC article.

10

Photophysical studies of the trans to cis isomerization of the push-pull molecule: 1-(pyridin-4-yl)-2-(N-methylpyrrol-2-yl)ethene (mepepy).

Mokdad A, Belof JL, Yi SW, Shuler SE, McLaughlin ML, Space B, Larsen RW. Mokdad A, et al. Among authors: belof jl. J Phys Chem A. 2008 Sep 11;112(36):8310-5. doi: 10.1021/jp803268r. Epub 2008 Aug 14. J Phys Chem A. 2008. PMID: 18700732

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