Showing results (1-10 of 10) with videos related to
Sort By:
Pageof 1
Journal of Computational Chemistry|September 5, 2024
Equation-of-motion orbital-optimized coupled-cluster doubles method with the density-fitting approximation: An efficient implementationAslı Ünal, Uğur BozkayaThe Journal of Chemical Physics|April 2, 2018
Anionic water pentamer and hexamer clusters: An extensive study of structures and energeticsAslı Ünal, Uğur BozkayaJournal of Chemical Theory and Computation|February 2, 2022
Efficient Implementation of Equation-of-Motion Coupled-Cluster Singles and Doubles Method with the Density-Fitting Approximation: An Enhanced Algorithm for the Particle-Particle Ladder TermAslı Ünal, Uğur BozkayaThe Journal of Physical Chemistry. A|March 9, 2018
State-of-the-Art Computations of Vertical Ionization Potentials with the Extended Koopmans' Theorem Integrated with the CCSD(T) MethodUğur Bozkaya, Aslı ÜnalThe Journal of Chemical Physics|September 16, 2024
Equation-of-motion regularized orbital-optimized second-order perturbation theory with the density-fitting approximationAslı Ünal, Uğur BozkayaThe Journal of Chemical Physics|December 31, 2020
Energy and analytic gradients for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation: An efficient implementationUğur Bozkaya, Aslı Ünal, Yavuz AlagözThe Journal of Chemical Physics|September 23, 2021
Efficient implementations of the symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method with the density-fitting approximationYavuz Alagöz, Aslı Ünal, Uğur BozkayaThe Journal of Physical Chemistry. A|August 14, 2020
Assessment of the Density-Fitted Second-Order Quasidegenerate Perturbation Theory for Transition Energies: Accurate Computations of Singlet-Triplet Gaps for Charge-Transfer CompoundsSüleyman Aykut Servan, Aslı Ünal, Büşra Hamarat, et al.Beilstein Journal of Organic Chemistry|June 6, 2019
An anomalous addition of chlorosulfonyl isocyanate to a carbonyl group: the synthesis of ((3a<i>S</i>,7a<i>R</i>,<i>E</i>)-2-ethyl-3-oxo-2,3,3a,4,7,7a-hexahydro-1<i>H</i>-isoindol-1-ylidene)sulfamoyl chlorideAytekin Köse, Aslı Ünal, Ertan Şahin, et al.The Journal of Chemical Physics|February 2, 2022
MacroQC 1.0: An electronic structure theory software for large-scale applicationsUğur Bozkaya, Betül Ermiş, Yavuz Alagöz, et al.Pageof 1