Minimally Empirical Double-Hybrid Functionals Trained against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4 von Santra, Golokesh, Sylvetsky, Nitai, Martin, Jan M. L.

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DSD-PBEP86: in search of the best double-hybrid DFT with spin-component scaled MP2 and dispersion corrections von KOZUCH, Sebastian, MARTIN, Jan M. L

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What Types of Chemical Problems Benefit from Density-Corrected DFT? A Probe Using an Extensive and Chemically Diverse Test Suite von Santra, Golokesh, Martin, Jan M.L

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Frequency and Zero-Point Vibrational Energy Scale Factors for Double-Hybrid Density Functionals (and Other Selected Methods): Can Anharmonic Force Fields Be Avoided? von Kesharwani, Manoj K, Brauer, Brina, Martin, Jan M. L

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Halogen Bonds: Benchmarks and Theoretical Analysis von Kozuch, Sebastian, Martin, Jan M. L

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The MOBH35 Metal–Organic Barrier Heights Reconsidered: Performance of Local-Orbital Coupled Cluster Approaches in Different Static Correlation Regimes von Semidalas, Emmanouil, Martin, Jan M.L

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Spin-component-scaled double hybrids: An extensive search for the best fifth-rung functionals blending DFT and perturbation theory von Kozuch, Sebastian, Martin, Jan M. L.

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Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory von Liakos, Dimitrios G, Sparta, Manuel, Kesharwani, Manoj K, Martin, Jan M. L, Neese, Frank

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A Thiourea Tether in the Second Coordination Sphere as a Binding Site for CO2 and a Proton Donor Promotes the Electrochemical Reduction of CO2 to CO Catalyzed by a Rhenium Bipyridi... von Haviv, Eynat, Azaiza-Dabbah, Dima, Carmieli, Raanan, Avram, Liat, Martin, Jan M. L, Neumann, Ronny

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The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory von Brauer, Brina, Kesharwani, Manoj K, Kozuch, Sebastian, Martin, Jan M L

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W4‐17: A diverse and high‐confidence dataset of atomization energies for benchmarking high‐level electronic structure methods von Karton, Amir, Sylvetsky, Nitai, Martin, Jan M. L.

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Empirical Double‐Hybrid Density Functional Theory: A ‘Third Way’ in Between WFT and DFT von Martin, Jan M. L., Santra, Golokesh

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Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with xDSD as a Special Case von Santra, Golokesh, Cho, Minsik, Martin, Jan M. L

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Coupled Cluster Benchmark of New DFT and Local Correlation Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II, III) Chloride Carbonyls von Efremenko, Irena, Martin, Jan M. L

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The Melatonin Conformer Space: Benchmark and Assessment of Wave Function and DFT Methods for a Paradigmatic Biological and Pharmacological Molecule von Fogueri, Uma R, Kozuch, Sebastian, Karton, Amir, Martin, Jan M.L

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“Turning Over” Definitions in Catalytic Cycles von Kozuch, Sebastian, Martin, Jan M. L

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Explicitly correlated Wn theory: W1-F12 and W2-F12 von Karton, Amir, Martin, Jan M L

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Canonical and DLPNO-Based G4(MP2)XK-Inspired Composite Wave Function Methods Parametrized against Large and Chemically Diverse Training Sets: Are They More Accurate and/or Robust t... von Semidalas, Emmanouil, Martin, Jan M. L

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S66x8 noncovalent interactions revisited: new benchmark and performance of composite localized coupled-cluster methods von Santra, Golokesh, Semidalas, Emmanouil, Mehta, Nisha, Karton, Amir, Martin, Jan M. L

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The Atomic Partial Charges Arboretum: Trying to See the Forest for the Trees von Cho, Minsik, Sylvetsky, Nitai, Eshafi, Sarah, Santra, Golokesh, Efremenko, Irena, Martin, Jan M. L.

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