日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

Domain-Based Charge-Transfer Decomposition and Its Application to Explore the Charge-Transfer Character in Prototypical Dyes

基于域的电荷转移分解及其在探索典型染料电荷转移特性中的应用

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.5c00186
Szczuczko, Lena; Gałyńska, Marta; Kriebel, Maximilian H; Tecmer, Paweł; Boguslawski, Katharina
发表日期：2025
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Frozen-Pair-Type pCCD-Based Methods and Their Double Ionization Variants to Predict Properties of Prototypical BN-Doped Light Emitters

基于冻结对型pCCD的方法及其双电离变体预测典型BN掺杂发光器件的性能

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.5c00057
Pandey, Ram Dhari; de Moraes, Matheus Morato F; Boguslawski, Katharina; Tecmer, Pawel
发表日期：2025
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Electron Affinities from Equation-of-Motion Frozen Pair-Type Coupled Cluster Methods and Their Dependence on Single Excitations, Molecular Orbitals, and Basis Set Sizes

基于运动方程冻结对型耦合簇方法的电子亲和能及其对单激发、分子轨道和基组大小的依赖性

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.5c01258
Behjou, Saman; Tecmer, Paweł; Boguslawski, Katharina
发表日期：2025
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Expectation Value-pCCD-Based Methods for Single-Electron Properties

基于期望值和pCCD的单电子性质方法

期刊:Journal of Physical Chemistry A
影响因子:2.8
doi:10.1021/acs.jpca.5c03859
Chakraborty, Rahul; Ahmadkhani, Somayeh; Świerczyński, Julian; Boguslawski, Katharina; Tecmer, Paweł
发表日期：2025
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Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs

加速 Pythonic 耦合集群实现：CPU 与 GPU 的比较

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.3c01110
Kriebel, Maximilian H; Tecmer, Paweł; Gałyńska, Marta; Leszczyk, Aleksandra; Boguslawski, Katharina
发表日期：2024
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Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation

无需单激发即可获得可靠的偶极矩：轨道旋转和动力学关联的作用

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.4c00471
Chakraborty, Rahul; de Moraes, Matheus Morato F; Boguslawski, Katharina; Nowak, Artur; Świerczyński, Julian; Tecmer, Paweł
发表日期：2024
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Geminal-Based Strategies for Modeling Large Building Blocks of Organic Electronic Materials

基于双键的策略用于构建有机电子材料大型结构单元。

期刊:Journal of Physical Chemistry Letters
影响因子:4.6
doi:10.1021/acs.jpclett.3c02434
Tecmer, Paweł; Gałyńska, Marta; Szczuczko, Lena; Boguslawski, Katharina
发表日期：2023
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The relationship between structure and excited-state properties in polyanilines from geminal-based methods

基于偕二烯法合成的聚苯胺的结构与激发态性质之间的关系

期刊:RSC Advances
影响因子:4.6
doi:10.1039/d3ra05621j
Jahani, Seyedehdelaram; Boguslawski, Katharina; Tecmer, Paweł
发表日期：2023
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