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期刊名字 | Computational and Theoretical Chemistry COMPUT THEOR CHEM （此期刊被最新的JCR期刊SCIE收录） LetPub评分 6.3
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声誉 6.9 影响力 5.2 速度 8.9 | |||||||||||||||||||||||||
| 期刊ISSN | 2210-271X | 安装APP，查看期刊最新消息
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| 2025-2026最新IF （数据来源于网友提供） | 注册或登录后，查看IF | |||||||||||||||||||||||||
| 实时影响因子 | 截止2026年5月06日：2.89 | |||||||||||||||||||||||||
| 2025-2026自引率 | 6.9%点击查看自引率趋势图 | |||||||||||||||||||||||||
| 五年IF （数据来源于网友提供） | 2.898数据由网友[传说6781]收集提供 | |||||||||||||||||||||||||
| h-index | 82 | |||||||||||||||||||||||||
| CiteScore （ 2026年6月最新版） |
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| 期刊简介 |
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| 期刊官方网站 | http://www.journals.elsevier.com/computational-and-theoretical-chemistry/ | |||||||||||||||||||||||||
期刊投稿格式模板 VIP专享 |
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| 期刊投稿网址 | https://www.editorialmanager.com/COMPTC | |||||||||||||||||||||||||
| 该期刊中国学者近期发文 - New | Effect of Pd doping on the gas sensing performance of InSe/graphene heterostructures toward transformer characteristic gases (CO, C2H4, H2): A DFT study Author: Wang, Jinkun; Gao, Qingzhong Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115885 First-principles prediction on the direct Z-scheme MoSe2/ZrS2 heterostructure for solar hydrogen production through photocatalytic water splitting Author: Xu, Shi-Hao; Zhang, Yan; Liu, Bo-Yu; Zhou, Ze; Meng, Xian-Min; Duan, Li Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115902 Unveiling the effect of iron doping on the performance of Li-rich Mn-based cathode Li1.25Mn0.5Ni0.25O2 by first-principles calculations Author: Huang, Yingcui; Hu, Wei Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115879 Adsorption and gas-sensing properties of pd-, pt-, and Zn-modified HfSe2 toward dissolved fault gases in transformer oil: A DFT study Author: You, Yangxin; Bi, Maoqiang; Fang, Jie; He, Shuanghao; Li, Shiqi; Xu, Sheng; Jiang, Tianyan Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115887 | |||||||||||||||||||||||||
| 期刊语言要求 | Language Please write your text in good English (American or British usage is accepted, but not a mixture of these). Authors who feel their English language manuscript may require editing to eliminate possible grammatical or spelling errors and to conform to correct scientific English may wish to use the English Language Editing service. 经LetPub语言功底雄厚的美籍native English speaker精心编辑的稿件，不仅能满足Computational and Theoretical Chemistry的语言要求，还能让Computational and Theoretical Chemistry编辑和审稿人得到更好的审稿体验，让稿件最大限度地被Computational and Theoretical Chemistry编辑和审稿人充分理解和公正评估。LetPub的专业SCI论文编辑服务（包括SCI论文英语润色，同行资深专家修改润色，SCI论文专业翻译，SCI论文格式排版，专业学术制图等）帮助作者准备稿件，已助力全球15万+作者顺利发表论文。部分发表范例可查看：服务好评 论文致谢 。 提交文稿 | |||||||||||||||||||||||||
| 是否OA开放访问 | No | |||||||||||||||||||||||||
| 通讯方式 | RADARWEG 29, AMSTERDAM, NETHERLANDS, 1043 NX | |||||||||||||||||||||||||
| 出版商 | Elsevier BV | |||||||||||||||||||||||||
| 涉及的研究方向 | CHEMISTRY, PHYSICAL- | |||||||||||||||||||||||||
| 出版国家或地区 | NETHERLANDS | |||||||||||||||||||||||||
| 出版语言 | English | |||||||||||||||||||||||||
| 出版周期 | ||||||||||||||||||||||||||
| 出版年份 | 2011 | |||||||||||||||||||||||||
| 年文章数 | 478点击查看年文章数趋势图 | |||||||||||||||||||||||||
| Gold OA文章占比 | 6.41% | |||||||||||||||||||||||||
| 研究类文章占比： 文章 ÷（文章 + 综述） | 100.00% | |||||||||||||||||||||||||
| WOS期刊JCR分区 （ 2025-2026年最新版） | 注册或登录后，查看WOS分区等级 | |||||||||||||||||||||||||
| 期刊分区表预警名单 | 2026年03月发布的新锐学术版：不在预警名单中 2025年03月发布的2025版：不在预警名单中 2024年02月发布的2024版：不在预警名单中 2023年01月发布的2023版：不在预警名单中 2021年12月发布的2021版：不在预警名单中 2020年12月发布的2020版：不在预警名单中 | |||||||||||||||||||||||||
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| 《新锐期刊分区表》 （ 2026年3月发布） | 点击查看期刊分区表趋势图
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| 期刊分区表 （ 2025年3月升级版） |
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| 期刊分区表 （ 2023年12月旧的升级版） |
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| SCI期刊收录coverage | Science Citation Index Expanded (SCIE) (2020年1月，原SCI撤销合并入SCIE，统称SCIE) Scopus (CiteScore) | |||||||||||||||||||||||||
| PubMed Central (PMC)链接 | http://www.ncbi.nlm.nih.gov/nlmcatalog?term=2210-271X%5BISSN%5D | |||||||||||||||||||||||||
| 平均审稿速度 | 网友分享经验： 平均2月 | |||||||||||||||||||||||||
| 平均录用比例 | 网友分享经验： 约75% | |||||||||||||||||||||||||
| LetPub助力发表 | 经LetPub编辑的稿件平均录用比例是未经润色的稿件的1.5倍，平均审稿时间缩短40%。众多作者在使用LetPub的专业SCI论文编辑服务（包括SCI论文英语润色，同行资深专家修改润色，SCI论文专业翻译，SCI论文格式排版，专业学术制图等）后论文在Computational and Theoretical Chemistry顺利发表。
快看看作者怎么说吧：服务好评 论文致谢 。 提交文稿 | |||||||||||||||||||||||||
| 期刊常用信息链接 | ||||||||||||||||||||||||||
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| 中国学者近期发表的论文 | |
| 1. | Effect of Pd doping on the gas sensing performance of InSe/graphene heterostructures toward transformer characteristic gases (CO, C2H4, H2): A DFT study Author: Wang, Jinkun; Gao, Qingzhong Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115885 DOI |
| 2. | First-principles prediction on the direct Z-scheme MoSe2/ZrS2 heterostructure for solar hydrogen production through photocatalytic water splitting Author: Xu, Shi-Hao; Zhang, Yan; Liu, Bo-Yu; Zhou, Ze; Meng, Xian-Min; Duan, Li Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115902 DOI |
| 3. | Unveiling the effect of iron doping on the performance of Li-rich Mn-based cathode Li1.25Mn0.5Ni0.25O2 by first-principles calculations Author: Huang, Yingcui; Hu, Wei Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115879 DOI |
| 4. | Adsorption and gas-sensing properties of pd-, pt-, and Zn-modified HfSe2 toward dissolved fault gases in transformer oil: A DFT study Author: You, Yangxin; Bi, Maoqiang; Fang, Jie; He, Shuanghao; Li, Shiqi; Xu, Sheng; Jiang, Tianyan Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115887 DOI |
| 5. | Adsorption and sensing properties of Pdn (n=1-4) doped MoSe2 for characteristic gases (H2, CO, C2H2, and C2H4) in thermal runaway of lithium-ion batteries: A DFT study Author: Jiang, Tianyan; Liu, Ting; He, Haibing; Zhang, Zhixian; Chen, Xi; Bi, Maoqiang Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115911 DOI |
| 6. | Dual-function promotion of 1,3-dioxolane in hydrogen hydrates: High capacity and anomalous thermal stability Author: Feng, Yiwei; Dong, Zixuan; Li, Wenwen; Cao, Jiawei; Liu, Jinxiang Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115903 DOI |
| 7. | Regulated and controlled electronic band structure of borophene nanoribbons using phosphorus for various adsorbing configurations: A first-principles calculation Author: Wang, Weihua; Yang, Yan; Song, Haiyang; Li, Chunzhi; Ma, Junchi; Jiang, Fushi; Zhou, Kunpeng Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115881 DOI |
| 8. | Unraveling the effects of Stone-Wales defects and B doping on the silicene anode: A DFT study Author: Wang, Mingjin; Hou, Yuhua; Zhang, Ruyan; Li, Wei; Tao, Xiaoma; Huang, Youlin Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115910 DOI |
| 9. | Exploring the decomposition of CF3I in supercritical water via ReaxFF molecular dynamics simulations Author: Song, Liang; Song, Lv-Zhuo-Han; Chen, Xing-Long; Hou, Yun-Hui; Li, Min; Su, Hao-Long; Sun, Jing Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115907 DOI |
| 10. | Theoretical insights into the geometric structures, bonding characteristics, electronic properties, and magnetism of V2Bn (n=2-16) clusters Author: Pan, Hui; Guo, Junji; Lian, Linyuan; Wang, Kai Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2026; Vol. 1263, Issue , pp. -. DOI: 10.1016/j.comptc.2026.115908 DOI |
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