logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
arrow
返回期刊详情
T

The Journal of Physical Chemistry A

IF2.8
论文数664
被引数5
期刊论文 664
发表时间
delete
Platinum-Acetylide-Based Small Molecule Donors for High-Efficiency T-OPVs: A Theoretical Exploration of Optimized ISC and Charge Transfer Dynamics铂-乙炔基基小分子给体用于高效T-OPVs：ISC和电荷转移动力学优化的理论探索
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-12
delete0
PREAI
deleteShuangbao Li; Zi’an Wang; Lingfeng Sheng; Zhongmin Su
delete分享
delete收藏
Steering Diels–Alder Reaction with Mechanical Force: Structure Deformation versus Electron Rearrangement利用机械力调控狄尔斯-阿尔德反应：结构变形与电子重排
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-12
delete0
PREAI
deleteWeijie Huang; Junchao Liao; Xuan Wang; Xiaofei Xu; Weiqiang Tang; Shuangliang Zhao
delete分享
delete收藏
Effect of Fluorination on Excited-State Dynamics in Methyl Salicylate: A Surface-Hopping Dynamics Study
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-12
delete0
PREAI
deletePriyanka Chakraborty; Aditya N. Panda
delete分享
delete收藏
Stability of Mono-Hydrated Ether Complexes in the Gas-Phase at Room Temperature气相中单水合醚复合物在室温下的稳定性
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-11
delete0
PREAI
deleteDhritabrata Pal; Amalie Rosager Kristensen; Henrik G. Kjaergaard
delete分享
delete收藏
Calculation of Integrated Vibrational Band Intensities for Molecules with Large Amplitude Motions含大振幅运动的分子的综合振动带强度计算
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-11
delete0
PREAI
deleteFalk Richter
delete分享
delete收藏
1-; 2-; and 3-Electron Pancake Bonds in Covalent Scaffolds: Redox Modulation of Through-Space Exchange in Blatter Diradicals1-、2-和3-电子煎饼键在共价骨架中：Blatter双自由基中通过空间的交换的氧化还原调控
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-10
delete0
PREAI
deleteSamuel O. Odoh
delete分享
delete收藏
Substituent Effects on Excited-State Relaxation of N; N′-Bis(salicylidene)-p-phenylenediamine: A Comparative Study of BSP and S-BSP取代基效应对N; N′-双(水杨醛亚胺)-对苯二胺激发态弛豫的影响：BSP和S-BSP的比较研究
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-09
delete0
PREAI
deleteXin-Yu Zhang; Tian-Lan Liao; Shu-Hua Xia
delete分享
delete收藏
Mechanistic Insights into the Antioxidant and Pro-oxidant Behaviors of Uric Acid in the Presence of Cu(II)尿酸在Cu(II)存在下的抗氧化和促氧化行为的机理研究
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-09
delete0
PREAI
deleteNghia Huu Phan; Pham Vu Nhat; Dang T. Nguyen
delete分享
delete收藏
Computational Insights into the Mechanism of [4 + 2] Cycloaddition of Aza-ortho-quinone Methides with Terminal Alkynes关于氮杂-邻-醌亚甲基与端基炔烃[4 + 2]环加成反应机理的计算机模拟研究
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-08
delete0
PREAI
deleteWenbo Zhang; Yue Li; Pei Zhao; Qingqing Yao; Xu Yan; Yanzhi Liu; Kun Yuan
delete分享
delete收藏
Vibrational and Structural Properties of Aqueous H2SO4 and Na2SO4 Systems from Ambient to Supercritical Conditions: A Comparative Study between GGA(-D3) and r2SCAN Functionals从环境条件到超临界条件的水合H₂SO₄和Na₂SO₄体系的振动和结构性质：GGA(-D3)和r2SCAN泛函的对比研究
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-08
delete0
PREAI
deleteRajorshi Chattopadhyay; Sandro Jahn
delete分享
delete收藏
The Sigma Ring and Other Distinctive Features of Surface Potentials of Group 1 SystemsSigma环及碱金属体系表面电势的其他显著特征
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-08
delete0
deleteOAAI
deleteKelling J. Donald; Victoria Rankin; Brice Di Carlo; Jonathan E. Findley; Ethan B. Leonard
delete分享
delete收藏
Modeling DOTA Decarboxylation in the Context of α-Radiolysis Using DFT Calculations利用DFT计算在α-辐射裂解背景下对DOTA脱羧反应进行建模
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-08
delete0
PREAI
deleteArmando de Rezende; Letícia S. Braga; Adélia J. A. Aquino; Jean-François Lucchini
delete分享
delete收藏
A Three-Phase Distribution Method for Quantifying the Intermolecular Interactions三相分布法用于量化分子间相互作用
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-06
delete0
PREAI
deleteShun Konno; Taisuke Araki; Tomoya Oonuki; Takeshi Hasegawa
delete分享
delete收藏
On the Nonparametric Diabatization of Coupled Electronic States耦合电子态的非参数Diabatization方法
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-06
delete0
PREAI
deleteYuchen Wang
delete分享
delete收藏
The Infrared Spectra of Neutral Dimethyl-Sulfide; -Disulfide and -Sulfoxide Biomarkers in Molecular Beams中性二甲基硫醚、二硫化合物和亚砜分子束中的红外光谱生物标志物
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-05
delete0
PREAI
deleteMats Kuipers; Laura Pille; Lucas Schwob; Bart Oostenrijk; Daria Ruth Galimberti; Rens Waters; Shang-Min Tsai; Piero Ferrari
delete分享
delete收藏
Porphyrin Aggregation Revisited: From the Four-Orbital Gouterman Model to an Eight-Orbital Framework in Porphin H-Dimers卟啉聚集物的重新审视：从四轨道Gouterman模型到卟啉H二聚体中的八轨道框架
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-03
delete0
deleteOAAI
deleteJannes Förster; Leo Cordsmeier; Vinícius Vaz da Cruz; Alexander Föhlisch
delete分享
delete收藏
Unraveling the Electronic Origin of Selectivity in Ambimodal Transition States with Valence Bond Theory揭示价键理论中双模过渡态选择性的电子起源
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-03
delete0
PREAI
deleteCaiyun Zhang; Wei Wu; Chen Zhou
delete分享
delete收藏
Modeling the Clustering of Fumaric/Maleic Acid with Water and Na+; Cl– Ions模拟顺丁烯二酸/马来酸与水及Na+、Cl–离子的聚集行为
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-02
delete0
PREAI
deleteGeorg Baadsgaard Trolle; Jonas Elm
delete分享
delete收藏
Determining Binding Energies of Key Fluorinated Refrigerants 1; 1; 1; 2-Tetrafluoroethane; 2; 3; 3; 3-Tetrafluoropropene; and 3; 3; 3-Trifluoropropene确定关键氟化制冷剂1,1,1,2-四氟乙烷、2,3,3,3-四氟丙烯和3,3,3-三氟丙烯的键合能
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-02
delete0
PREAI
deleteKoushik Mondal; Mason McAnally; Nils Melbourne; Andrew M. Turner; Alexandre Bergantini; Rui Sun; Ralf I. Kaiser
delete分享
delete收藏
Twisted-Driven Photoionization of Aligned Chiral Molecules: Signatures of Circular and Helical Dichroism手性分子的扭转驱动光电离：圆二色性和螺旋二色性的特征
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-02
delete0
PREAI
deleteJiahao Duan; Maomao Gong; Yongjun Cheng; Song Bin Zhang
delete分享
delete收藏