Ahmet Altun - Publications, H-index & Citations

Ahmet Altun

Max-Planck-Institut für Kohlenforschung

33H指数

107论文数

4.3K被引数

收录论文 46

发表时间

Fluorination switches CO–arene binding to a π-hole regime; enabling nonclassical carbonyl behaviour 氟化使CO–芳烃结合转变为π-空穴模式；使羰基表现出非经典行为

phys. chem. chem. phys.

IF0

2026-06-24

OAAI

Imanol Usabiaga †; Weixing Li ‡; Camilla Calabrese §; Ahmet Altun; Assimo Maris; Sonia Melandri; Giovanni Bistoni; Luca Evangelisti

Local Energy Decomposition of Intramolecular Interactions: The CovaLED Approach and Its Application to Molecular Recognition in Biomolecular Assemblies 分子内相互作用的局部能量分解：CovaLED方法及其在生物分子组装体中分子识别的应用

ACS Central Science

IF10.4

2026-05-27

OAAI

Martina Colucci; Christoph Riplinger; Ahmet Altun; Frank Neese; Giovanni Bistoni

Deaminative Cyanation of Anilines by Oxylanion Radical Transfer 通过氧负离子自由基转移的苯胺脱氨氰化反应

Organic Letters

IF5

2025-08-04

OAAI

Deepak Behera; Tim Schulte; Ahmet Altun; Markus Leutzsch; Frank Neese; Tobias Ritter

A Generally Applicable Method for Disentangling the Effect of Individual Noncovalent Interactions on the Binding Energy

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2024-12-11

PREAI

Altun, Ahmet; Leach, Isaac F.; Neese, Frank; Bistoni, Giovanni

Local Energy Decomposition Analysis of London Dispersion Effects: From Simple Model Dimers to Complex Biomolecular Assemblies

ACCOUNTS OF CHEMICAL RESEARCH

IF17.7

2024-04-11

OAAI

Bistoni, Giovanni; Altun, Ahmet; Wang, Zikuan; Neese, Frank

Exploring the Accuracy Limits of PNO-Based Local Coupled-Cluster Calculations for Transition-Metal Complexes

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-03-14

OAAI

Altun, Ahmet; Riplinger, Christoph; Neese, Frank; Bistoni, Giovanni

Exploring the Limits of Intramolecular London Dispersion Stabilization with Bulky Dispersion Energy Donors in Alkane Solution

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2023-01-23

PREAI

Schuemann, Jan M.; Ochmann, Lukas; Becker, Jonathan; Altun, Ahmet; Harden, Ingolf; Bistoni, Giovanni; Schreiner, Peter R.

Open-Shell Variant of the London Dispersion-Corrected Hartree-Fock Method (HFLD) for the Quantification and Analysis of Noncovalent Interaction Energies

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-02-15

OAAI

Altun, Ahmet; Neese, Frank; Bistoni, Giovanni

Unveiling the complex pattern of intermolecular interactions responsible for the stability of the DNA duplex 揭示负责DNA双链体稳定性的分子间相互作用的复杂模式

CHEMICAL SCIENCE

IF7.4

2021-01-01

OAAI

Altun, Ahmet; Garcia-Rates, Miquel; Neese, Frank; Bistoni, Giovanni

Extrapolation to the Limit of a Complete Pair Natural Orbital Space in Local Coupled-Cluster Calculations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-09-08

OAAI

Altun, Ahmet; Neese, Frank; Bistoni, Giovanni

HFLD: A Nonempirical London Dispersion-Corrected Hartree-Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-09-20

OAAI

Altun, Ahmet; Neese, Frank; Bistoni, Giovanni

Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-01-31

OAAI

Altun, Ahmet; Saitow, Masaaki; Neese, Frank; Bistoni, Giovanni

London Dispersion Interactions in Pnictogen Cations [ECl2]+ and [E=E]2+ (E=P, As, Sb) Supported by Anionic N-Heterocyclic Carbenes 阴离子N-杂环卡宾支持的pnicogen阳离子 [ECl2] 和 [E = E]2 (E = P，As，Sb) 中的伦敦分散相互作用

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2018-12-11

PREAI

Luong Phong Ho; Nasr, Alexandre; Jones, Peter G.; Altun, Ahmet; Neese, Frank; Bistoni, Giovanni; Tamm, Matthias

Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition Study 电子关联对分子间相互作用的影响: 基于一对自然轨道耦合簇的局域能量分解研究

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-11-29

PREAI

Altun, Ahmet; Neese, Frank; Bistoni, Giovanni

Interactions of poly (vinyl alcohol) and poly (N-isopropylacrylamide) with tannic acid and pyrazole derivatives: The identification of H-bonds for revealing a Two-Molecules carrier system

EUROPEAN POLYMER JOURNAL

IF6.3

2018-11-01

PREAI

Ok, Salim; Altun, Ahmet

Structural and spectroscopic (UV-Vis, IR, Raman, and NMR) characteristics of anisaldehydes that are flavoring food additives: A density functional study in comparison with experiments

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2017-01-01

PREAI

Altun, Ahmet; Swesi, O. A. A.; Alhatab, B. S. S.

Combined experimental and quantum chemical studies on spectroscopic (FT-IR, FT-Raman, UV-Vis, and NMR) and structural characteristics of quinoline-5-carboxaldehyde

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2016-12-01

PREAI

Kumru, Mustafa; Altun, Ahmet; Kocademir, Mustafa; Kucuk, Vesile; Bardakci, Tayyibe; Sasmaz, Ibrahim

Molecular structures, charge distributions, and vibrational analyses of the tetracoordinate Cu(II), Zn(II), Cd(II), and Hg(II) bromide complexes of p-toluidine investigated by density functional theory in comparison with experiments

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2016-07-01

PREAI

Bardakci, Tayyibe; Kumru, Mustafa; Altun, Ahmet

Correlation effects and orbital magnetism of Co clusters

PHYSICAL REVIEW B

IF3.7

2016-06-27

OAAI

Peters, L.; Di Marco, I.; Granas, O.; Sasioglu, E.; Altun, A.; Rossen, S.; Friedrich, C.; Bluegel, S.; Katsnelson, M. I.; Kirilyuk, A.; Eriksson, O.

Tautomeric conversion, vibrational spectra, and density functional studies on peripheral sulfur derivatives of benzothiazole and benzothiazoline isomers

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2016-01-01

PREAI

Altun, Ahmet; Kuliyev, Eziz; Aghatabay, Naz M.

研究方向