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Randall W. Hall - Publications

Affiliations: 
1986-2012 Chemistry Louisiana State University, Baton Rouge, LA, United States 
 2012- Chemistry Dominican University of California 
Area:
statistical mechanics, nanoparticles, glassy materials, Path Integrals, biomolecules
Website:
https://www.dominican.edu/directory-people/randall-hall
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35 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2011 Bae GT, Dellinger B, Hall RW. Density functional calculation of the structure and electronic properties of Cu(n)O(n) (n = 1-8) clusters. The Journal of Physical Chemistry. A. 115: 2087-95. PMID 21361346 DOI: 10.1021/Jp104177Q  0.354
2008 Stevenson JD, Walczak AM, Hall RW, Wolynes PG. Constructing explicit magnetic analogies for the dynamics of glass forming liquids. The Journal of Chemical Physics. 129: 194505. PMID 19026064 DOI: 10.1063/1.3009827  0.671
2008 Hall RW, Wolynes PG. Intermolecular forces and the glass transition. The Journal of Physical Chemistry. B. 112: 301-12. PMID 17990867 DOI: 10.1021/Jp075017J  0.521
2007 Wu FJ, Simeral LS, Mrse AA, Eilertsen JL, Negureanu L, Gan Z, Fronczek FR, Hall RW, Butler LG. Structural characterization of Al10O6iBu16(mu-H)2, a high aluminum content cluster: further studies of methylaluminoxane (MAO) and related aluminum complexes. Inorganic Chemistry. 46: 44-7. PMID 17198411 DOI: 10.1021/Ic060291Y  0.39
2006 Negureanu L, Hall RW, Butler LG, Simeral LA. Methyaluminoxane (MAO) polymerization mechanism and kinetic model from ab initio molecular dynamics and electronic structure calculations. Journal of the American Chemical Society. 128: 16816-26. PMID 17177432 DOI: 10.1021/Ja064545Q  0.338
2005 Xu YO, Hall RW, Goldstein RA, Pollock DD. Divergence, recombination and retention of functionality during protein evolution. Human Genomics. 2: 158-67. PMID 16197733 DOI: 10.1186/1479-7364-2-3-158  0.48
2005 Hall RW. Simulation of electronic and geometric degrees of freedom using a kink-based path integral formulation: application to molecular systems. The Journal of Chemical Physics. 122: 164112. PMID 15945677 DOI: 10.1063/1.1884945  0.383
2004 Bryant PL, Lukiw WJ, Gan Z, Hall RW, Butler LG. High-field 19.6T 27Al solid-state MAS NMR of in vitro aluminated brain tissue. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 170: 257-62. PMID 15388089 DOI: 10.1016/J.Jmr.2003.12.013  0.302
2004 Bobadova-Parvanova P, Oku Y, Wickramasinghe A, Hall RW, Vicente MGH. Ab initio and 1H NMR study of the Zn(II) complexes of a nido- and a closo-carboranylporphyrin Journal of Porphyrins and Phthalocyanines. 8: 996-1006. DOI: 10.1142/S1088424604000362  0.337
2003 Hall RW, Wolynes PG. Microscopic theory of network glasses. Physical Review Letters. 90: 085505. PMID 12633439 DOI: 10.1103/Physrevlett.90.085505  0.509
2003 Hall RW, Wolynes PG. Hall and Wolynes Reply: Physical Review Letters. 91. DOI: 10.1103/Physrevlett.91.159602  0.428
2002 Gascón JA, Hall RW, Ludewigt C, Haberland H. Structure of XeN + clusters (N=3-30): Simulation and experiment Journal of Chemical Physics. 117: 8391-8403. DOI: 10.1063/1.1512277  0.573
2002 Hall RW. An adaptive, kink-based approach to path integral calculations Journal of Chemical Physics. 116: 1-7. DOI: 10.1063/1.1423939  0.361
2002 Hall RW. Klink-based path integral calculations of atoms He-Ne Chemical Physics Letters. 362: 549-553. DOI: 10.1016/S0009-2614(02)01115-6  0.372
2001 Bryant PL, Harwell CR, Mrse AA, Emery EF, Gan Z, Caldwell T, Reyes AP, Kuhns P, Hoyt DW, Simeral LS, Hall RW, Butler LG. Structural characterization of MAO and related aluminum complexes. 1. Solid-state (27)Al NMR with comparison to EFG tensors from ab initio molecular orbital calculations. Journal of the American Chemical Society. 123: 12009-17. PMID 11724609 DOI: 10.1021/Ja011092A  0.72
2001 Gascón JA, Hall RW. Absorption spectra and geometries of ArN + (N = 30-60) Journal of Physical Chemistry B. 105: 6579-6582. DOI: 10.1021/Jp0100102  0.585
2000 Gascon JA, Hall RW. Photoabsorption spectra of argon cation clusters: Monte Carlo simulations using many-body polarization Journal of Chemical Physics. 113: 7204-7210. DOI: 10.1063/1.1312825  0.554
2000 Kolchin AM, Hall RW. Electronic properties of small neutral and charged beryllium clusters Journal of Chemical Physics. 113: 4083-4092. DOI: 10.1063/1.1288388  0.676
1999 Madjoe RH, Koveshnikov AN, Harwell C, Hall R, Stockbauer RL, Kurtz RL. Changes in the Fermi surface at the magnetization reorientation transition in Fe/Cu(100) Journal of Applied Physics. 85: 6211-6213. DOI: 10.1063/1.370224  0.699
1999 Harwell CR, Mrse AA, Shelby AI, Butler LG, Hall RW. Ab Initio Calculation of81Br Nuclear Quadrupole Resonance Transition Frequencies for Brominated Aromatics (Flame Retardants) The Journal of Physical Chemistry A. 103: 8088-8092. DOI: 10.1021/Jp9915026  0.713
1999 Bryant PL, Harwell CR, Wu K, Fronczek FR, Hall RW, Butler LG. Single-Crystal 27 Al NMR of Andalusite and Calculated Electric Field Gradients: The First Complete NMR Assignment for a 5-Coordinate Aluminum Site Journal of Physical Chemistry A. 103: 5246-5252. DOI: 10.1021/Jp990374I  0.725
1998 Morales GA, Faulkner J, Hall RW. Tight-binding simulations of argon cation clusters Journal of Chemical Physics. 109: 3418-3424. DOI: 10.1063/1.476937  0.41
1995 Prince MR, Hall RW. A non-atom-based orbital basis set for small sodium clusters Journal of Physical Chemistry. 99: 8562-8566. DOI: 10.1021/J100021A018  0.356
1992 Hall RW. Formally exact path integral Monte Carlo calculations using approximate projection operators The Journal of Chemical Physics. 97: 6481-6484. DOI: 10.1063/1.463709  0.329
1991 Hays SE, Hall RW. Determination of the vertical ionization potentials of small sodium clusters using path integral Monte Carlo calculations Journal of Physical Chemistry. 95: 8552-8554. DOI: 10.1021/J100175A027  0.362
1990 Hall RW. Path integral study of the correlated electronic states of Na 4-Na6 The Journal of Chemical Physics. 93: 8211-8219. DOI: 10.1063/1.459299  0.391
1989 Hall RW. Comparison of path integral and density functional techniques in a model two-electron system Journal of Physical Chemistry. 93: 5628-5632. DOI: 10.1021/J100351A058  0.315
1989 Hall RW. Finite temperature effects in Na3 + and Na3: A path integral Monte Carlo study Chemical Physics Letters. 160: 520-525. DOI: 10.1016/0009-2614(89)80056-9  0.349
1988 Hall RW. The treatment of exchange in path integral simulations via an approximate pseudopotential The Journal of Chemical Physics. 89: 4212-4215. DOI: 10.1063/1.454805  0.337
1987 Hall RW, Wolynes PG. The aperiodic crystal picture and free energy barriers in glasses The Journal of Chemical Physics. 86: 2943-2948. DOI: 10.1063/1.452045  0.494
1986 Hall RW, Wolynes PG. Quantum Monte Carlo study of a lattice-atom model for excitonic fluids. Physical Review. B, Condensed Matter. 33: 7879-7881. PMID 9938177 DOI: 10.1103/Physrevb.33.7879  0.422
1986 Hall RW, Wolynes PG. G. N. Lewis' atom and quantum Monte Carlo studies of liquids Journal of Statistical Physics. 43: 935-948. DOI: 10.1007/Bf02628321  0.523
1985 Hall RW, Wolynes PG. Solvent influence on atomic spectra: The effect of finite size The Journal of Chemical Physics. 83: 3214-3221. DOI: 10.1063/1.449179  0.536
1984 Hall RW, Berne BJ. Nonergodicity in path integral molecular dynamics The Journal of Chemical Physics. 81: 3641-3643. DOI: 10.1063/1.448112  0.498
1984 Thirumalai D, Hall RW, Berne BJ. A path integral Monte Carlo study of liquid neon and the quantum effective pair potential The Journal of Chemical Physics. 81: 2523-2527. DOI: 10.1063/1.447985  0.606
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