Dr. Öğr. Üyesi ASLI ÜNAL MENTEN

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)

Hakemli Kongre / Sempozyum Bildiri Kitaplarında Yer Alan Yayınlar

Assessment of the Density-Fitted Equation-of-Motion Coupled-Cluster Singles and Doubles Method for Excitation Energies

Bozkaya T., ÜNAL A., BOZKAYA U.

25th International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCP 2022), Torun, Polonya, 19 Haziran 2022

Equation-of-Motion Orbital-Optimized Second-Order Perturbation Theory with The Density-Fitting Approximation

ÜNAL A., BOZKAYA U.

13th Chemical Physics Congress, Elazığ, Türkiye, 15 - 16 Ekim 2020

State-of-the-Art Computations of Vertical Ionization Potentials with the Extended Koopmans

ÜNAL A., BOZKAYA U.

12th Chemical Physics Congress, Safranbolu, Safranbolu, Türkiye, 12 - 13 Ekim 2018

Anyonik Su Kümelerinin Yapıları ve Enerjilerinin Kuantum Kimyasal Yöntemlerle Yüksek Doğrulukta Hesaplanması

ÜNAL A., BOZKAYA U.

3. Hesaplamalı Kimya Kongresi, Ankara, Türkiye, 12 - 14 Ekim 2017

Anyonik Su Kümelerinin Denge Geometrilerinin, Bağlanma ve Dikey Elektron Koparılma Enerjilerinin Kuantum Kimyasal Yöntemlerle Yüksek Doğrulukta Hesaplanması

ÜNAL A., BOZKAYA U.

6. Fiziksel Kimya Kongresi, Zonguldak, Türkiye, 15 Mayıs 2017 - 18 Nisan 2024

Dr. Öğr. Üyesi ASLI ÜNAL MENTEN

Yayınlar & Eserler

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

MacroQC 1.0: An electronic structure theory software for large-scale applications

Efficient implementations of the symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation

Anharmonic force field from coupled-cluster methods and accurate computation of infrared spectra

Energy and analytic gradients for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation: An efficient implementation

Assessment of the Density-Fitted Second-Order Quasidegenerate Perturbation Theory for Transition Energies: Accurate Computations of Singlet-Triplet Gaps for Charge-Transfer Compounds

Ionized water clusters (H2O)(n)(+), n=2 to 6: A high-accuracy study of structures and energetics

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

State-of-the-Art Computations of Vertical Ionization Potentials with the Extended Koopmans' Theorem Integrated with the CCSD(T) Method

Anionic water pentamer and hexamer clusters: An extensive study of structures and energetics

Hakemli Kongre / Sempozyum Bildiri Kitaplarında Yer Alan Yayınlar

Assessment of the Density-Fitted Equation-of-Motion Coupled-Cluster Singles and Doubles Method for Excitation Energies

Equation-of-Motion Orbital-Optimized Second-Order Perturbation Theory with The Density-Fitting Approximation

State-of-the-Art Computations of Vertical Ionization Potentials with the Extended Koopmans

Anyonik Su Kümelerinin Yapıları ve Enerjilerinin Kuantum Kimyasal Yöntemlerle Yüksek Doğrulukta Hesaplanması

Anyonik Su Kümelerinin Denge Geometrilerinin, Bağlanma ve Dikey Elektron Koparılma Enerjilerinin Kuantum Kimyasal Yöntemlerle Yüksek Doğrulukta Hesaplanması

Metrikler

Yayın

Atıf (WoS)

H-İndeks (WoS)

Atıf (Scopus)

H-İndeks (Scopus)

Proje

Açık Erişim