Natalie Orms - Publications
Affiliations: | 2017 | Chemistry | University of Southern California, Los Angeles, CA, United States |
Year | Citation | Score | |||
---|---|---|---|---|---|
2018 | Orms N, Krylov AI. Singlet-triplet energy gaps and the degree of diradical character in binuclear copper molecular magnets characterized by spin-flip density functional theory. Physical Chemistry Chemical Physics : Pccp. PMID 29376159 DOI: 10.1039/C7Cp07356A | 0.524 | |||
2017 | Orms N, Rehn D, Dreuw A, Krylov AI. Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis: A uniform approach. Journal of Chemical Theory and Computation. PMID 29268010 DOI: 10.1021/Acs.Jctc.7B01012 | 0.47 | |||
2017 | Orms N, Krylov AI. Modeling Photoelectron Spectra of CuO, Cu2O, and CuO2 Anions With Equation-of-Motion Coupled-Cluster Methods: An Adventure in Fock Space. The Journal of Physical Chemistry. A. PMID 29251931 DOI: 10.1021/Acs.Jpca.7B10620 | 0.568 | |||
2017 | Luxon AR, Orms N, Kanters RPF, Krylov AI, Parish CA. An Ab Initio Exploration of the Bergman Cyclization. The Journal of Physical Chemistry. A. PMID 29227675 DOI: 10.1021/Acs.Jpca.7B10576 | 0.546 | |||
2015 | Zuev D, Vecharynski E, Yang C, Orms N, Krylov AI. New algorithms for iterative matrix-free eigensolvers in quantum chemistry. Journal of Computational Chemistry. 36: 273-84. PMID 25470492 DOI: 10.1002/Jcc.23800 | 0.595 | |||
2013 | Khistyaev K, Golan A, Bravaya KB, Orms N, Krylov AI, Ahmed M. Proton transfer in nucleobases is mediated by water. The Journal of Physical Chemistry. A. 117: 6789-97. PMID 23805987 DOI: 10.1021/Jp406029P | 0.375 | |||
Show low-probability matches. |