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Journal of Chemical Theory and Computation|November 29, 2015
Relativistic Zeroth-Order Regular Approximation Combined with Nonhybrid and Hybrid Density Functional Theory: Performance for NMR Indirect Nuclear Spin-Spin Coupling in Heavy Metal CompoundsSalvador Moncho, Jochen AutschbachMagnetic Resonance in Chemistry : MRC|June 30, 2010
Molecular orbital analysis of the inverse halogen dependence of nuclear magnetic shielding in LaX₃, X = F, Cl, Br, ISalvador Moncho, Jochen AutschbachChemistry (Weinheim an Der Bergstrasse, Germany)|August 7, 2008
When are tricoordinated PdII species accessible? Stability trends and mechanistic consequencesSalvador Moncho, Gregori Ujaque, Agustí Lledós, et al.Journal of Computational Chemistry|December 23, 2017
What Happens Without Nickel? Cyclization Reactions of Ethylene with Ethanedithial and Related MoleculesMohamed F Shibl, Salvador Moncho, Edward N BrothersJournal of Molecular Modeling|April 9, 2015
Addition of ethylene to a π-conjugated two-dimensional nickel-based organometallic framework with implications for olefin separationSalvador Moncho, Edward N Brothers, Michael B HallACS Applied Materials & Interfaces|April 14, 2020
Defining New Limits in Gas Separations Using Modified ZIF SystemsPanagiotis Krokidas, Salvador Moncho, Edward N Brothers, et al.Chemical Communications (Cambridge, England)|April 24, 2014
Dehydrogenation of a tertiary amine-borane by a rhenium complexSohail Muhammad, Salvador Moncho, Edward N Brothers, et al.The Journal of Chemical Physics|June 24, 2017
Why are GGAs so accurate for reaction kinetics on surfaces? Systematic comparison of hybrid vs. nonhybrid DFT for representative reactionsAndrew Mahler, Benjamin G Janesko, Salvador Moncho, et al.The Journal of Chemical Physics|July 2, 2018
When Hartree-Fock exchange admixture lowers DFT-predicted barrier heights: Natural bond orbital analyses and implications for catalysisAndrew Mahler, Benjamin G Janesko, Salvador Moncho, et al.The Journal of Physical Chemistry. A|August 31, 2016
Mechanism of Ethylene Addition to Nickel Bis(oxothiolene) and Nickel Bis(dioxolene) ComplexesDusan N Sredojevic, Rajesh K Raju, Salvador Moncho, et al.Pageof 4