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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