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Rene Fournier - Publications

Affiliations: 
Chemistry  York University, Toronto, Ontario, Canada 
Area:
Computational chemistry
Website:
http://www.yorku.ca/renef/
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48 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
2016 Fournier R, Mohareb A. Optimizing molecular properties using a relative index of thermodynamic stability and global optimization techniques. The Journal of Chemical Physics. 144: 024114. PMID 26772561 DOI: 10.1063/1.4939530  0.4
2013 Fournier R, Orel S. Automated fit of high-dimensional potential energy surfaces using cluster analysis and interpolation over descriptors of chemical environment. The Journal of Chemical Physics. 139: 234110. PMID 24359355 DOI: 10.1063/1.4846297  0.387
2013 Orel S, Fournier R. Density functional theory and global optimization study of Sn(m)Pb(n) clusters (7 ≤ m + n ≤ 12, 0 ≤ m/(m + n) ≤ 1). The Journal of Chemical Physics. 138: 064306. PMID 23425470 DOI: 10.1063/1.4790607  0.478
2012 Bulusu S, Fournier R. Density functional theory guided Monte Carlo simulations: application to melting of Na13. The Journal of Chemical Physics. 136: 064112. PMID 22360174 DOI: 10.1063/1.3684628  0.349
2012 Afifi H, Mikhailine A, Mladenova G, Chtchemelinine A, Sultana I, Dyblenko T, Danilov E, Fournier R, Lee-Ruff E. Direct observation of a doubly destabilized cation Arkivoc. 2012: 343-354. DOI: 10.3998/Ark.5550190.0013.631  0.3
2011 Fournier R, Bulusu S, Chen S, Tung J. Using swarm intelligence for finding transition states and reaction paths. The Journal of Chemical Physics. 135: 104117. PMID 21932886 DOI: 10.1063/1.3633515  0.312
2009 Zhang M, Fournier R. Self-consistent charge equilibration method and its application to Au13Na(n) (n = 1,10) clusters. The Journal of Physical Chemistry. A. 113: 3162-70. PMID 19320517 DOI: 10.1021/Jp8063273  0.351
2009 Zhang M, Fournier R. Density-functional-theory study of 13-atom metal clusters M13, M=Ta-Pt Physical Review a - Atomic, Molecular, and Optical Physics. 79. DOI: 10.1103/Physreva.79.043203  0.449
2009 Sun Y, Fournier R, Zhang M. Structural and electronic properties of 13-atom 4d transition-metal clusters Physical Review a - Atomic, Molecular, and Optical Physics. 79. DOI: 10.1103/Physreva.79.043202  0.464
2008 Sun Y, Zhang M, Fournier R. Periodic trends in the geometric structures of 13-atom metal clusters Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.075435  0.436
2008 Botticelli J, Fournier R, Zhang M. Zn7Cu6: A magic cluster of brass? Theoretical Chemistry Accounts. 120: 583-589. DOI: 10.1007/S00214-008-0413-Z  0.437
2007 Fournier R. Trends in Energies and Geometric Structures of Neutral and Charged Aluminum Clusters. Journal of Chemical Theory and Computation. 3: 921-9. PMID 26627412 DOI: 10.1021/Ct6003752  0.436
2007 Sun Y, Fournier R. Geometric and electronic structure of closed-shell bimetallicA4B12clusters Physical Review A. 75. DOI: 10.1103/Physreva.75.063205  0.305
2006 Zhang M, Fournier R. Structure of 55-atom bimetallic clusters Journal of Molecular Structure: Theochem. 762: 49-56. DOI: 10.1016/J.Theochem.2005.08.042  0.468
2005 Sun Y, Fournier R. Density Functional Study of Beryllium Clusters Computing Letters. 1: 210-219. DOI: 10.1163/157404005776611448  0.396
2004 Fournier R, Boroukhovskaia L. Accurate energies calculated by empirical corrections to the local spin density approximation Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 112: 1-6. DOI: 10.1007/S00214-003-0555-Y  0.403
2004 Cheng J, Fournier R. Structural optimization of atomic clusters by tabu search in descriptor space Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 112: 7-15. DOI: 10.1007/S00214-003-0552-1  0.441
2003 Fournier R, Bo Yi Cheng J, Wong A. Theoretical study of the structure of lithium clusters The Journal of Chemical Physics. 119: 9444-9454. DOI: 10.1063/1.1615237  0.449
2003 Wan J, Fournier R. Why is Al11B2− not a magic number in TOF-MS? The Journal of Chemical Physics. 119: 5949-5954. DOI: 10.1063/1.1603217  0.406
2001 Fournier R. Theoretical study of the structure of silver clusters The Journal of Chemical Physics. 115: 2165-2177. DOI: 10.1063/1.1383288  0.462
2000 Fournier R, Jiang N. Model Hamiltonians derived from Kohn-Sham theory International Journal of Quantum Chemistry. 80: 582-590. DOI: 10.1002/1097-461X(2000)80:4/5<582::Aid-Qua7>3.0.Co;2-K  0.386
1999 Chan W, Fournier R. Binding of ammonia to small copper and silver clusters Chemical Physics Letters. 315: 257-265. DOI: 10.1016/S0009-2614(99)01195-1  0.408
1998 Fournier R, Pang T, Chen C. Structural characterization of niobium-cluster anions from density-functional calculations Physical Review A. 57: 3683-3691. DOI: 10.1103/Physreva.57.3683  0.583
1997 Pápai I, Mascetti J, Fournier R. Theoretical Study of the Interaction of the Ti Atom with CO2:  Cleavage of the C−O Bond The Journal of Physical Chemistry A. 101: 4465-4471. DOI: 10.1021/Jp970379K  0.379
1996 Kietzmann H, Morenzin J, Bechthold PS, Ganteför G, Eberhardt W, Yang DS, Hackett PA, Fournier R, Pang T, Chen C. Photoelectron Spectra and Geometric Structures of Small Niobium Cluster Anions. Physical Review Letters. 77: 4528-4531. PMID 10062561 DOI: 10.1103/Physrevlett.77.4528  0.584
1996 RAYNER D, LIAN L, ATHANASSENAS K, COLLINGS B, FOURNIER R, MITCHELL S, HACKETT P. IR STUDIES OF CHEMISORPTION ON MOLECULAR SURFACES: AMMONIA ON SILVER CLUSTERS Surface Review and Letters. 3: 649-654. DOI: 10.1142/S0218625X96001169  0.399
1996 Yang DS, Zgierski MZ, Bérces A, Hackett PA, Roy PN, Martinez A, Carrington T, Salahub DR, Fournier R, Pang T, Chen C. Vibrational and geometric structures of Nb3C2 and Nb3C2 + from pulsed field ionization-zero electron kinetic energy photoelectron spectra and density functional calculations Journal of Chemical Physics. 105: 10663-10671. DOI: 10.1063/1.472873  0.574
1995 Fournier R. Theoretical study of the bonding of ammonia, carbon monoxide, and ethylene, to copper atom, dimer, and trimer The Journal of Chemical Physics. 102: 5396-5407. DOI: 10.1063/1.469267  0.378
1995 Barone V, Fournier R, Mele F, Russo N, Adamo C. Structure and EPR parameters of CuC2H2 from a density functional approach Chemical Physics Letters. 237: 189-194. DOI: 10.1016/0009-2614(95)00323-V  0.384
1995 Fournier R. Association and insertion complexes of nickel with water and methanol studied using Kohn-Sham theory Theoretical Chemistry Accounts. 91: 129-146. DOI: 10.1007/Bf01114981  0.345
1994 Mitchell S, Blitz M, Fournier R. Experimental and theoretical study of monoligand complexes of nickel atoms with simple alkynes Canadian Journal of Chemistry. 72: 587-599. DOI: 10.1139/V94-082  0.363
1994 Castro M, Salahub DR, Fournier R. A density functional study of FeCO, FeCO−, and FeCO+ The Journal of Chemical Physics. 100: 8233-8239. DOI: 10.1063/1.466766  0.355
1994 Fournier R. Bonding of acetylene to copper atom, dimer, and trimer International Journal of Quantum Chemistry. 52: 973-985. DOI: 10.1002/Qua.560520423  0.368
1993 James AM, Fournier R, Simard B, Campbell MD. Electronic spectroscopy of yttrium monosulfide: molecular beam studies and density functional calculations Canadian Journal of Chemistry. 71: 1598-1614. DOI: 10.1139/V93-200  0.302
1993 Fournier R. Theoretical study of the monocarbonyls of first‐row transition metal atoms The Journal of Chemical Physics. 99: 1801-1815. DOI: 10.1063/1.465297  0.362
1993 Fournier R, Sinnott SB, DePristo AE. Erratum: Density functional study of the bonding in small silicon clusters [J. Chem. Phys. 97, 4149 (1992)] The Journal of Chemical Physics. 98: 9222-9222. DOI: 10.1063/1.465119  0.406
1993 Fournier R. Theoretical study of linear and bent CrCO, NiCO, and CuCO The Journal of Chemical Physics. 98: 8041-8050. DOI: 10.1063/1.464559  0.419
1993 Pápai I, Mink J, Fournier R, Salahub DR. Singlet- and triplet-state Ni(C2H4): A density functional study Journal of Physical Chemistry. 97: 9986-9991. DOI: 10.1021/J100141A016  0.374
1992 Fournier R, Sinnott SB, DePristo AE. Density functional study of the bonding in small silicon clusters The Journal of Chemical Physics. 97: 4149-4161. DOI: 10.1063/1.463918  0.479
1992 Fournier R, DePristo AE. Predicted bond energies in peroxides and disulfides by density functional methods The Journal of Chemical Physics. 96: 1183-1193. DOI: 10.1063/1.462206  0.399
1992 Fournier R, Stave MS, DePristo AE. Dissociation dynamics of D2on rigid and nonrigid Ni clusters The Journal of Chemical Physics. 96: 1530-1539. DOI: 10.1063/1.462137  0.453
1991 Fournier R, Salahub DR. Effect of oxygen chemisorption on the magnetism of small nickel clusters Surface Science. 245: 263-279. DOI: 10.1016/0039-6028(91)90029-R  0.408
1990 Fournier R, Andzelm J, Goursot A, Russo N, Salahub DR. Electronic and magnetic properties of a carbon atom chemisorbed on model clusters simulating the (100) surface of nickel The Journal of Chemical Physics. 93: 2919-2926. DOI: 10.1063/1.458876  0.417
1990 Fournier R. Second and third derivatives of the linear combination of Gaussian type orbitals–local spin density energy The Journal of Chemical Physics. 92: 5422-5429. DOI: 10.1063/1.458520  0.313
1990 Fournier R, Salahub DR. Chemisorption and magnetization: a bond order-rigid band model Surface Science. 238: 330-340. DOI: 10.1016/0039-6028(90)90091-L  0.349
1989 Fournier R, Andzelm J, Salahub DR. Analytical gradient of the linear combination of Gaussian‐type orbitals—local spin density energy Journal of Chemical Physics. 90: 6371-6377. DOI: 10.1063/1.456354  0.341
1988 Chiarello G, Andzelm J, Fournier R, Russo N, Salahub DR. Surface extended energy loss fine structure and local spin density investigation of carbidic carbon on the Ni(100) surface Surface Science. 202: L621-L626. DOI: 10.1016/0039-6028(88)90040-4  0.376
1986 Fournier R, Salahub DR. Effect of hydrogen chemisorption on the magnetism of nickel clusters International Journal of Quantum Chemistry. 29: 1077-1089. DOI: 10.1002/Qua.560290507  0.41
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