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Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation
Free accessTaylor & Francis Verlag | 2018|Keywords: CCSD -
Toward a less costly but accurate calculation of the CCSD(T)/CBS noncovalent interaction energy
Wiley | 2020|Keywords: noncanonical CCSD(T)/CBS method, DLPNO‐CCSD(T) -
CCSD(T)-F12 calculations of the IR spectrum of cyanoacetylene HC3N beyond the harmonic approximation
Elsevier | 2020|Keywords: Ab-initio CCSD(T) and CCSD(T)-F12 calculations -
A comparison of DLPNO-CCSD(T) and CCSD(T) method for the determination of the energetics of hydrogen atom transfer reactions
Elsevier | 2020|Keywords: DLPNO-CCSD(T) -
Physical nature of silane⋯carbene dimers revealed by state‐of‐the‐art ab initio calculations
Wiley | 2019|Keywords: CCSD(T) -
The High Performance of Choline Arginate for Biomass Pretreatment Is Due to Remarkably Strong Hydrogen Bonding by the Anion
American Chemical Society | 2018|Keywords: CCSD(T) -
CCSD study of anharmonic Raman cross sections of fundamental, overtone, and combination transitions
Wiley | 2012|Keywords: CCSD(T), CCSD -
Fluorine spin–spin coupling constants of pentafluorobenzene revisited at the ab initio correlated levels
Wiley | 2022|Keywords: CCSD, SOPPA (CCSD) -
Evaluation of density functional theory for a large and diverse set of organic and inorganic equilibrium structures
Wiley | 2021|Keywords: CCSD(T) -
DFT, DLPNO‐CCSD(T), and NEVPT2 benchmark study of the reaction between ferrocenium and trimethylphosphine
Wiley | 2020|Keywords: DLPNO‐CCSD(T) -
Oxidative conversion of C1–C3 alkanes by vanadium oxide catalysts. DFT results and their accuracy
Wiley | 2008|Keywords: CCSD(T) -
Catalyst activation and the dimerization energy of alkylaluminium compounds
Elsevier | 2014|Keywords: CCSD(T) -
Conformational analysis of caprolactam, cycloheptene and caprolactone
Online Contents | 2011|Keywords: CCSD(T) -
Comment on “CCSD study of anharmonic Raman cross sections of fundamental, overtone, and combination transitions”
Wiley | 2013|Keywords: CCSD(T), CCSD -
Quantum chemical calculation of amino‐substituted but‐2‐yne dications: Distonic and gitonic character?
Wiley | 2014|Keywords: CCSD(T)) calculations, CCSD -
Selective Synthesis of exo-Spiro[2′,2′-difluorocyclopropane-3′,2′-tropanes]
Thieme Verlag | 2020|Keywords: CCSD(T) -
High‐Level Electron Correlation of the Indirect Nuclear Spin‐Spin Coupling Constants in Some Small Diboranes and Lithium‐Doped Diboranes
Wiley | 2021|Keywords: SOPPA(CCSD)
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