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Aaron C. West, Ph.D. - Publications

Affiliations: 
2012 Chemistry Iowa State University, Ames, IA, United States 
Area:
Physical Chemistry
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17 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
2019 Schoendorff G, West AC, Schmidt MW, Ruedenberg K, Gordon MS. Quasi-Atomic Bond Analyses in the Sixth Period: I. Relativistic Accurate Atomic Minimal Basis Sets for the Elements Cesium to Radon. The Journal of Physical Chemistry. A. PMID 31199630 DOI: 10.1021/Acs.Jpca.9B04023  0.34
2017 West AC, Duchimaza-Heredia JJ, Gordon MS, Ruedenberg K. Identification and Characterization of Molecular Bonding Structures by ab initio Quasi-Atomic Orbital Analyses. The Journal of Physical Chemistry. A. PMID 29135255 DOI: 10.1021/Acs.Jpca.7B07054  0.353
2017 West AC. Atom-Based Strong Correlation Method: An Orbital Selection Algorithm. The Journal of Physical Chemistry. A. PMID 29134808 DOI: 10.1021/Acs.Jpca.7B08482  0.371
2017 Schoendorff G, West AC, Schmidt MW, Ruedenberg K, Wilson AK, Gordon MS. Relativistic Ab Initio Accurate Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-Atomic Orbitals for The Elements Li - Xe. The Journal of Physical Chemistry. A. PMID 28406302 DOI: 10.1021/Acs.Jpca.7B01916  0.366
2017 West AC, Schmidt MW, Gordon MS, Ruedenberg K. Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions. The Journal of Physical Chemistry. A. PMID 28134532 DOI: 10.1021/Acs.Jpca.6B10911  0.329
2015 West AC, Schmidt MW, Gordon MS, Ruedenberg K. A comprehensive analysis in terms of molecule-intrinsic, quasi-atomic orbitals. II. Strongly correlated MCSCF wave functions. The Journal of Physical Chemistry. A. PMID 26376320 DOI: 10.1021/Acs.Jpca.5B03399  0.346
2015 West AC, Schmidt MW, Gordon MS, Ruedenberg K. A Comprehensive Analysis in Terms of Molecule-intrinsic Quasi-atomic Orbitals. IV. Bond Breaking and Bond Forming along the Dissociative Reaction Path of Dioxetane. The Journal of Physical Chemistry. A. PMID 26371996 DOI: 10.1021/Acs.Jpca.5B03402  0.356
2015 West AC, Schmidt MW, Gordon MS, Ruedenberg K. A Comprehensive Analysis in Terms of Molecule-intrinsic, Quasi-atomic Orbitals. III. The Covalent Bonding Structure of Urea. The Journal of Physical Chemistry. A. PMID 26371867 DOI: 10.1021/Acs.Jpca.5B03400  0.326
2015 Hull EA, West AC, Pestovsky O, Kristian KE, Ellern A, Dunne JF, Carraher JM, Bakac A, Windus TL. UV-visible spectroscopy of macrocyclic alkyl, nitrosyl and halide complexes of cobalt and rhodium. Experiment and calculation. Dalton Transactions (Cambridge, England : 2003). 44: 3811-6. PMID 25609399 DOI: 10.1039/C4Dt03143A  0.523
2014 West AC, Barbatti M, Lischka H, Windus TL. Nonadiabatic dynamics study of methaniminium with ORMAS: Challenges of incomplete active spaces in dynamics simulations Computational and Theoretical Chemistry. 1040: 158-166. DOI: 10.1016/J.Comptc.2014.03.015  0.568
2013 West AC, Schmidt MW, Gordon MS, Ruedenberg K. A comprehensive analysis of molecule-intrinsic quasi-atomic, bonding, and correlating orbitals. I. Hartree-Fock wave functions. The Journal of Chemical Physics. 139: 234107. PMID 24359352 DOI: 10.1063/1.4840776  0.365
2012 West AC, Lynch JD, Sellner B, Lischka H, Hase WL, Windus TL. O + C2H4 potential energy surface: Lowest-lying singlet at the multireference level Theoretical Chemistry Accounts. 131: 1-14. DOI: 10.1007/S00214-012-1279-7  0.579
2012 West AC, Windus TL. Can ORMAS be used for nonadiabatic coupling calculations? SiCH 4 and butadiene contours Theoretical Chemistry Accounts. 131: 1-11. DOI: 10.1007/S00214-012-1251-6  0.578
2012 West AC, Lynch JD, Sellner B, Lischka H, Hase WL, Windus TL. O + C 2H 4 potential energy surface: Excited states and biradicals at the multireference level Theoretical Chemistry Accounts. 131: 1-15. DOI: 10.1007/S00214-012-1123-0  0.6
2010 Park K, West A, Raheja E, Sellner B, Lischka H, Windus TL, Hase WL. Singlet and triplet potential surfaces for the O2+C2H4 reaction. The Journal of Chemical Physics. 133: 184306. PMID 21073222 DOI: 10.1063/1.3490480  0.578
2010 Kraus GA, Jeon I, Mengwasser J, West AC, Windus TL. Selective metalation of 4,6-dibromoresorcinol dimethyl ether with LiTMP Synlett. 1955-1958. DOI: 10.1055/S-0030-1258135  0.494
2009 West AC, Kretchmer JS, Sellner B, Park K, Hase WL, Lischka H, Windus TL. O((3)P) + C(2)H(4) potential energy surface: study at the multireference level. The Journal of Physical Chemistry. A. 113: 12663-74. PMID 19824670 DOI: 10.1021/Jp905070Z  0.6
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