Öğr.Gör.Dr. ASLI ÜNAL
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Türkçe
English
Hacettepe Üniversitesi
Akademik Veri Yönetim Sistemi
English
Akademik Veri Yönetim Sistemi
English
Yayınlar & Eserler
Yayın Ağı
SCI, SSCI ve AHCI İndekslerine Giren Dergilerde Yayınlanan Makaleler
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 Term
ÜNAL A.
,
BOZKAYA U.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
, cilt.18, sa.3, ss.1489-1500, 2022 (SCI-Expanded)
MacroQC 1.0: An electronic structure theory software for large-scale applications
BOZKAYA U.
,
Ermis B.
,
Alagoz Y.
,
ÜNAL A.
,
Uyar A. K.
JOURNAL OF CHEMICAL PHYSICS
, cilt.156, sa.4, 2022 (SCI-Expanded)
Efficient implementations of the symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation
Alagoz Y.
,
ÜNAL A.
,
BOZKAYA U.
JOURNAL OF CHEMICAL PHYSICS
, cilt.155, sa.11, 2021 (SCI-Expanded)
Anharmonic force field from coupled-cluster methods and accurate computation of infrared spectra
Ermiş B.
,
Ünal A.
,
Soydaş E.
,
Bozkaya U.
ADVANCES IN QUANTUM CHEMISTRY
, cilt.83, ss.139-153, 2021 (SCI-Expanded)
Energy and analytic gradients for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation: An efficient implementation
BOZKAYA U.
,
ÜNAL A.
,
Alagoz Y.
JOURNAL OF CHEMICAL PHYSICS
, cilt.153, sa.24, 2020 (SCI-Expanded)
Assessment of the Density-Fitted Second-Order Quasidegenerate Perturbation Theory for Transition Energies: Accurate Computations of Singlet-Triplet Gaps for Charge-Transfer Compounds
Servan S. A.
,
ÜNAL A.
,
Hamarat B.
,
BOZKAYA U.
JOURNAL OF PHYSICAL CHEMISTRY A
, cilt.124, sa.34, ss.6889-6898, 2020 (SCI-Expanded)
Ionized water clusters (H2O)(n)(+), n=2 to 6: A high-accuracy study of structures and energetics
ÜNAL A.
,
BOZKAYA U.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
, cilt.120, sa.7, 2020 (SCI-Expanded)
An anomalous addition of chlorosulfonyl isocyanate to a carbonyl group: the synthesis of ((3aS, 7aR, E)-2-ethyl-3-oxo-2,3,3a, 4,7,7a-hexahydro-1H-isoindol-1-ylidene)sulfamoyl chloride
KÖSE A.
,
ÜNAL A.
,
ŞAHİN E.
,
BOZKAYA U.
,
KARA Y.
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY
, cilt.15, ss.931-936, 2019 (SCI-Expanded)
State-of-the-Art Computations of Vertical Ionization Potentials with the Extended Koopmans' Theorem Integrated with the CCSD(T) Method
BOZKAYA U.
,
ÜNAL A.
JOURNAL OF PHYSICAL CHEMISTRY A
, cilt.122, sa.17, ss.4375-4380, 2018 (SCI-Expanded)
Anionic water pentamer and hexamer clusters: An extensive study of structures and energetics
ÜNAL A.
,
BOZKAYA U.
JOURNAL OF CHEMICAL PHYSICS
, cilt.148, sa.12, 2018 (SCI-Expanded)
Metrikler
Daha fazla metrik
Yayın
10
Atıf (WoS)
37
H-İndeks (WoS)
4
Atıf (Scopus)
53
H-İndeks (Scopus)
4
Açık Erişim
2