Theoretical Chemistry Accounts

SCI SCIE

国际简称：THEOR CHEM ACC 参考译名：理论化学账户

主要研究方向：化学-物理化学非预警期刊审稿周期：约3.0个月

《理论化学账户》(Theoretical Chemistry Accounts)是一本由Springer Berlin Heidelberg出版的以化学-物理化学为研究特色的国际期刊，发表该领域相关的原创研究文章、评论文章和综述文章，及时报道该领域相关理论、实践和应用学科的最新发现，旨在促进该学科领域科学信息的快速交流。该期刊是一本未开放期刊，近三年没有被列入预警名单。

4区中科院分区
Q4 JCR分区
91 年发文量
1.8 IF影响因子
未开放 是否OA
97 H-index
1962 创刊年份
Monthly 出版周期
English 出版语言

TCA publishes papers in all fields of theoretical chemistry, computational chemistry, and modeling. Fundamental studies as well as applications are included in the scope. In many cases, theorists and computational chemists have special concerns which reach either across the vertical borders of the special disciplines in chemistry or else across the horizontal borders of structure, spectra, synthesis, and dynamics. TCA is especially interested in papers that impact upon multiple chemical disciplines.

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Theoretical Chemistry Accounts期刊信息

ISSN：1432-881X
出版语言：English
是否OA：未开放
E-ISSN：1432-2234
出版地区：GERMANY
是否预警：否
出版商：Springer Berlin Heidelberg
出版周期：Monthly
创刊时间：1962
开源占比：0.0723
Gold OA文章占比：13.55%
OA被引用占比：0.0527...
出版国人文章占比：0.14
出版撤稿占比：0
研究类文章占比：100.00%

Theoretical Chemistry Accounts CiteScore评价数据（2026年6月最新版）

CiteScore

SJR

SNIP

CiteScore 指数

2.7

0.315

0.509

学科类别	分区	排名	百分位
大类：Chemistry 小类：Physical and Theoretical Chemistry	Q3	137 / 194	29%

名词解释：CiteScore 是衡量期刊所发表文献的平均受引用次数，是在 Scopus 中衡量期刊影响力的另一个指标。当年CiteScore 的计算依据是期刊最近4年（含计算年度）的被引次数除以该期刊近四年发表的文献数。例如，2022年的 CiteScore 计算方法为：2022年的 CiteScore =2019-2022年收到的对2019-2022年发表的文件的引用数量÷2019-2022年发布的文献数量注：文献类型包括：文章、评论、会议论文、书籍章节和数据论文。

Theoretical Chemistry Accounts中科院评价数据

《新锐期刊分区表》（2026年3月发布）

Top期刊	综述期刊	大类学科		小类学科
否	否	化学	4区	CHEMISTRY, PHYSICAL 物理化学	4区

Theoretical Chemistry Accounts JCR评价数据

2025-2026年最新版

按JCI指标学科分区	收录子集	分区	排名	百分位
学科：CHEMISTRY, PHYSICAL	SCIE	Q4	165 / 191	13.9
学科：CHEMISTRY, PHYSICAL	SCIE	Q4	169 / 191	11.78

Theoretical Chemistry Accounts历年数据统计

影响因子

中科院分区

Theoretical Chemistry Accounts中国学者发文选摘

1、Peripheral donor engineering of indolo[3,2-b]indole-based hole transporting materials for highly efficient perovskite solar cell
Author: Hu, Weixia; Yang, Jixin; Xu, Li; Zhang, Zhenghao; Zhao, Jie

Journal: THEORETICAL CHEMISTRY ACCOUNTS. 2026; Vol. 145, Issue 5, pp. -. DOI: 10.1007/s00214-026-03297-7
2、Insight into [3+2] Cycloaddition/Dehydration Reaction of Activated Cyclopropanes Catalyzed by Brønsted Acid: A Theoretical Stud
Author: Zhang, Yan; Yu, Jia-Xing; Xue, Ying; Wei, Cui; Zhou, Wen-Jun

Journal: THEORETICAL CHEMISTRY ACCOUNTS. 2026; Vol. 145, Issue 4, pp. -. DOI: 10.1007/s00214-026-03275-z
3、Advancing standard MP2 and RI-MP2 limits on moderate workstations: efficient algorithms for larger molecular system
Author: Shen, Lin; Ni, Zhigang

Journal: THEORETICAL CHEMISTRY ACCOUNTS. 2026; Vol. 145, Issue 4, pp. -. DOI: 10.1007/s00214-026-03286-w
4、Theoretical evaluation of antioxidant mechanisms for ester derivatives of tyrosol/hydroxytyrosol and phenolic acids: identifying candidates with enhanced antioxidant activit
Author: Lu, Jun; Liu, Bai-Ze; Lu, Qing-Hua; Li, Xiao-Jun; Wang, Guo-Ze

Journal: THEORETICAL CHEMISTRY ACCOUNTS. 2026; Vol. 145, Issue 4, pp. -. DOI: 10.1007/s00214-026-03283-z
5、Quantum product-state resolved dynamics investigation for the vibrationally excited H + F2 reactio
Author: Yin, Xue; Li, Wentao; Sun, Zhigang

Journal: THEORETICAL CHEMISTRY ACCOUNTS. 2026; Vol. 145, Issue 3, pp. -. DOI: 10.1007/s00214-026-03284-y
6、Adsorption properties of uranyl ion on NiAl-LDH/Sb: a first-principles stud
Author: Lv, Ruimin; Cheng, Jinjuan; Ouyang, Yanquan; Tang, Xian

Journal: THEORETICAL CHEMISTRY ACCOUNTS. 2025; Vol. 144, Issue 7, pp. -. DOI: 10.1007/s00214-025-03203-7
7、First-principles study on structural, electronic, and optical properties of Hf-modified (Ba,Ca)TiO
Author: Li, Caixia; Li, Chenglong; Ma, Xiaoxuan; Wang, Wanru; Wu, Chen; Ji, Nan; Li, Tianqi; Lu, Peng; Ren, Shuang; Zhao, Wenbin

Journal: THEORETICAL CHEMISTRY ACCOUNTS. 2025; Vol. 144, Issue 7, pp. -. DOI: 10.1007/s00214-025-03202-8
8、Effect of pressure on the structure of pentazole ion salt
Author: Chu, Yuqin; Zhu, Yang; Zhang, Peng; Ma, Congming; Ma, Peng

Journal: THEORETICAL CHEMISTRY ACCOUNTS. 2025; Vol. 144, Issue 7, pp. -. DOI: 10.1007/s00214-025-03204-6