The Journal of Physical Chemistry Letters最新文献_第10页

Giant Tunneling Electroresistance up to 108% via SynchronousOhmic–Schottky Switching at Dual Interfacesin Ti2CF2/Bilayer GaN Sliding FerroelectricTunnel Junctions 在Ti2CF2/双层氮化镓滑动铁电隧道结的双界面上通过同步索姆-肖特基开关实现高达108%的巨大隧道电阻

IF 6.475 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-09 DOI: 10.1021/acs.jpclett.6c02484

Ya-Qi Kong,Shao-Xian Wang,Chuan-Kui Wang,Guang-Ping Zhang

{"title":"Giant Tunneling Electroresistance up to 108% via Synchronous\u0000Ohmic–Schottky Switching at Dual Interfaces\u0000in Ti2CF2/Bilayer GaN Sliding Ferroelectric\u0000Tunnel Junctions","authors":"Ya-Qi Kong,Shao-Xian Wang,Chuan-Kui Wang,Guang-Ping Zhang","doi":"10.1021/acs.jpclett.6c02484","DOIUrl":"https://doi.org/10.1021/acs.jpclett.6c02484","url":null,"abstract":"Abstract Ferroelectric tunnel junctions (FTJs) based on sliding ferroelectrics hold promise for next-generation nonvolatile memories, yet achieving a high tunneling electroresistance (TER) ratio remains challenging. In this work, the Ti2CF2/bilayer GaN sliding FTJ is theoretically constructed, and its electronic transport properties are explored using density functional theory (DFT) combined with nonequilibrium Green’s function (NEGF) formalism. Our calculations reveal that ferroelectric polarization reversal in bilayer GaN modulates interfacial work function differences, enabling reversible transitions between Ohmic and Schottky contacts at both vertical and lateral interfaces. In the P↑ state, dual Ohmic contacts yield a high-conductance ON state. In contrast, the P↓ state produces large Schottky barriers at both interfaces that suppress tunneling current, corresponding to an OFF state. This dual-interface Ohmic–Schottky switching mechanism yields an ultrahigh TER ratio of up to 108%. Our findings provide critical insights into interface engineering and material selection for ultrahigh-TER FTJ devices based on sliding ferroelectrics.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"167 1","pages":""},"PeriodicalIF":6.475,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149151131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Active-SpaceSelection in Nonadiabatic Dynamics Simulationsof Dense Manifolds of Excited States: When Local Diabatization NeedsGreat Care 激发态密集流形非绝热动力学模拟中的主动空间选择：局部非绝热化需要注意的情况

IF 6.475 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-09 DOI: 10.1021/acs.jpclett.6c03072

Alexey V. Akimov

{"title":"Active-Space\u0000Selection in Nonadiabatic Dynamics Simulations\u0000of Dense Manifolds of Excited States: When Local Diabatization Needs\u0000Great Care","authors":"Alexey V. Akimov","doi":"10.1021/acs.jpclett.6c03072","DOIUrl":"https://doi.org/10.1021/acs.jpclett.6c03072","url":null,"abstract":"Abstract Local diabatization (LD) propagates electronic amplitudes using time overlaps of adiabatic states and is robust to wave function phase arbitrariness, root character transport, and rotations within near-degenerate manifolds. However, when truncated dynamical bases are not numerically supported by the consecutive-geometry overlaps, polar orthogonalization underlying the LD approach can enforce unitary evolution in unresolved directions, leading to unphysical population transfer. This work introduces an active space screening protocol based on singular values of time overlap matrices. Candidate spaces proposed from persistent energy gaps and state character are accepted only when every singular direction remains above the user-defined threshold and can then be tested for physical convergence across the nested active spaces. Three-state and 30-state models, controlled overlap failure tests, and atomistic (TiO2)2 and C20 trajectories show that formal rank and increasing state count alone do not guarantee reliable LD dynamics. Smaller, well-supported spaces can outperform the nominal full space when the latter is ill-conditioned.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"20 1","pages":""},"PeriodicalIF":6.475,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149151172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

One Conductorand One Score to Rule Them All: A BackendAgnostic Optimizer Employing Nonredundant Symmetrized Coordinatesfor Exploring Accuracy Ladders 一个指挥者和一个分数来统治他们：一个使用非冗余对称坐标来探索精度阶梯的后台不可知优化器

IF 6.475 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-09 DOI: 10.1021/acs.jpclett.6c03071

Vincenzo Barone

{"title":"One Conductor\u0000and One Score to Rule Them All: A Backend\u0000Agnostic Optimizer Employing Nonredundant Symmetrized Coordinates\u0000for Exploring Accuracy Ladders","authors":"Vincenzo Barone","doi":"10.1021/acs.jpclett.6c03071","DOIUrl":"https://doi.org/10.1021/acs.jpclett.6c03071","url":null,"abstract":"Abstract Reliable composite geometries require stationary points of one potential energy surface assembled from derivatives at the same nuclear configuration. We introduce an open-source, multiplatform framework combining an optimization driver, local, symmetrized, nonredundant internal or Cartesian coordinates, and interchangeable electronic-structure backends. The driver exchanges Cartesian geometries with the backends and assembles their energies and derivatives according to machine-readable frozen protocols specifying electron correlation, basis-set completion, and core–valence effects. A standard reference test (referred to as Baker-30) compares the internal-coordinate optimizer with the Gaussian optimizer. Larger systems illustrate symmetrized Cartesian coordinates; five composite methods are then assessed on a common 20-molecule panel. The resulting composite-gradient optimization is auditable and extensible while allowing each backend to contribute its strongest capabilities. The tested models give bond-length errors on the milliangstrom scale; reported core–valence shifts range from 0.8 to 4.2 mÅ.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"7 1","pages":""},"PeriodicalIF":6.475,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149151127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Cu-Terminated Ti3CuC2: BoostingCO2 Reduction Via Selective Adsorption Regulation cu端Ti3CuC2：通过选择性吸附调节促进co2还原

IF 6.475 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-09 DOI: 10.1021/acs.jpclett.6c03023

Shuhui Yang,Yingtao Zhu,Baibiao Huang,Ying Dai,Wei Wei

引用次数: 0

Cationic Vacancy Modulates Co Spin State in CoP forpH-Universal and Seawater Hydrogen Evolution 阳离子空位调节CoP中Co自旋态对ph - universal和海水析氢的影响

IF 6.475 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-09 DOI: 10.1021/acs.jpclett.6c02680

Beibei Shi,Guangyao Li,Mei Yang,Kai Tang,Liangjie Fu,Aidong Tang

{"title":"Cationic Vacancy Modulates Co Spin State in CoP for\u0000pH-Universal and Seawater Hydrogen Evolution","authors":"Beibei Shi,Guangyao Li,Mei Yang,Kai Tang,Liangjie Fu,Aidong Tang","doi":"10.1021/acs.jpclett.6c02680","DOIUrl":"https://doi.org/10.1021/acs.jpclett.6c02680","url":null,"abstract":"Abstract Precisely controlling cationic vacancy concentration to tune the spin configuration of metal sites remains a challenge for designing high-performance hydrogen evolution reaction (HER) electrocatalysts. Here, we demonstrated a density functional theory-guided strategy to programmatically engineer cationic vacancies in cobalt phosphide (CoP), enabling targeted modulation of the Co spin state. Theoretical screening identified 8.33% cation vacancies as optimal, which rearranged the unpaired 3d electrons of adjacent Co atoms, lowered the Co magnetic moment to 0.944 μB, and achieved near-thermoneutral hydrogen adsorption free energy (ΔGH* = 0.027 eV). Guided by this prediction, we synthesized CoP-V-0.5 with experimentally determined vacancy concentrations of 10.1% (bulk, ICP-OES) and 7.07% (surface, XPS), which closely approximated the theoretical optimum (8.33%) and validated the DFT-guided design. The optimized catalysts exhibited outstanding HER activity, requiring only 94, 116, and 106 mV to achieve 100 mA cm–2 in 1.0 M KOH, 0.5 M H2SO4, and 1.0 M PBS, respectively, and operated stably for 50 h in alkaline seawater. This work established a theory-guided, spin-mediated paradigm for defect engineering in electrocatalysis.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"56 1","pages":""},"PeriodicalIF":6.475,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149151174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Precise Alkyl Chain Tuning of Dibromoalkane Additives Enables Efficient Organic Solar Cells with Minimal Voltage Loss 二溴烷烃添加剂的精确烷基链调谐使高效有机太阳能电池具有最小的电压损失

IF 4.5 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-08 Epub Date: 2026-09-25 DOI: 10.1021/acs.jpclett.6c02900

Huizhen Xu, Lei Wu, Yonglin He, Jing Li, Xin Song, Weiguo Zhu

{"title":"Precise Alkyl Chain Tuning of Dibromoalkane Additives Enables Efficient Organic Solar Cells with Minimal Voltage Loss","authors":"Huizhen Xu, Lei Wu, Yonglin He, Jing Li, Xin Song, Weiguo Zhu","doi":"10.1021/acs.jpclett.6c02900","DOIUrl":"10.1021/acs.jpclett.6c02900","url":null,"abstract":"While solvent additive engineering is a widely adoptedstrategyfor morphological optimization in organic solar cells (OSCs), conventionalhigh-boiling-point additives often induce excessive molecular aggregationand aggregation-caused quenching (ACQ), which deteriorate electroluminescencequantum efficiency (EQEEL) and exacerbate nonradiativerecombination. Herein, we overcome this trade-off by precisely modulatingthe alkyl chain length of dibromoalkane additives to decouple energeticdisorder from nonradiative losses. Through a systematic investigationof a homologous series, 1,4-dibromobutane (DBrB), 1,6-dibromohexane(DBrH), and 1,8-dibromooctane (DBrO), we demonstrate that DBrH uniquelyoptimizes intermolecular packing while maintaining low energetic disorderand suppressing ACQ. In contrast, shorter-chain DBrB provides insufficientkinetic control, whereas longer-chain DBrO triggers excessive aggregationand severe nonradiative recombination. Leveraging this chain-length-dependentdesign principle, DBrH enables a performance of 19.1% in PM6:BTP-eC9binary devices without compromising open-circuit voltage and furtherexhibits excellent universality in ternary blends, achieving 20.0%efficiency in the PM6:L8-BO:L8-BO-F system. This work establishesalkyl chain length tuning as a precise and generalizable strategyfor simultaneously minimizing energetic disorder and nonradiativevoltage losses in high-performance OSCs.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"17 40","pages":"11695–11702"},"PeriodicalIF":4.5,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149049560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Visible-Light-Absorbing, Tryptophan-Based Yellow Fluorescent Amino Acid for Biological Spectroscopy and Microscopy 可见光吸收，色氨酸基黄色荧光氨基酸用于生物光谱学和显微镜

IF 4.5 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-08 Epub Date: 2026-09-24 DOI: 10.1021/acs.jpclett.6c02717

Zheyu Song, Bo Zhuang, Kailin Tang, Huan Xie, Feng Gai

{"title":"Visible-Light-Absorbing, Tryptophan-Based Yellow Fluorescent Amino Acid for Biological Spectroscopy and Microscopy","authors":"Zheyu Song, Bo Zhuang, Kailin Tang, Huan Xie, Feng Gai","doi":"10.1021/acs.jpclett.6c02717","DOIUrl":"10.1021/acs.jpclett.6c02717","url":null,"abstract":"Tryptophan(Trp) is the most widely used canonical fluorescentamino acid in protein science, but its ultraviolet absorption andemission limit its spectroscopic utility. Therefore, significant efforthas been made to develop Trp derivatives that absorb and emit visiblephotons. Herein, we show that 4-nitro-7-azatryptophan meets theserequirements. Photophysical characterization of the fluorophore of4-nitro-7-azatryptophan (4-nitro-7-azaindole) indicates that hydrogen-bondinginteraction with its nitro group is a key determinant of its fluorescencequantum yield (QY), which is maximized in strongly polar aprotic solvents(e.g., ca. 0.2 in acetonitrile). While the fluorescence QY of 4-nitro-7-azatryptophanis significantly decreased, it is still bright enough for biophysicalstudies, as demonstrated by two applications wherein we use it (1)to monitor the membrane binding of a fusion peptide derived from HIV-1glycoprotein gp41 via fluorescence spectroscopy and (2) to visualizethe liquid–liquid phase separation of a tick-adhesive glycine-richpeptide via fluorescence microscopy.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"17 40","pages":"11511–11519"},"PeriodicalIF":4.5,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149049569","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Thiourea-Mediated Photoinduced Electron Transfer in Water 硫脲介导的水中光诱导电子转移

IF 4.5 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-08 Epub Date: 2026-09-09 DOI: 10.1021/acs.jpclett.6c02379

Laxmipriya Dash, Subhrakant Jena, Rudhi Ranjan Sahoo, Ipsita Parichha, Madhusmita Parida, Hirendra N. Ghosh, Himansu S. Biswal

{"title":"Thiourea-Mediated Photoinduced Electron Transfer in Water","authors":"Laxmipriya Dash, Subhrakant Jena, Rudhi Ranjan Sahoo, Ipsita Parichha, Madhusmita Parida, Hirendra N. Ghosh, Himansu S. Biswal","doi":"10.1021/acs.jpclett.6c02379","DOIUrl":"https://doi.org/10.1021/acs.jpclett.6c02379","url":null,"abstract":"Thiourea (TU) is a versatile functional scaffold in catalysis,sensing, and medicinal chemistry, owing to its strong electron-donatingcharacter. However, the photophysical parameters governing the efficiencyof TU derivatives in photoinduced electron transfer (PET) remain poorlyunderstood. Here, we systematically investigated TU-mediated PET byintroducing controlled alkyl substitution at the nitrogen centerswhile preserving the thiocarbonyl framework. Using Rhodamine 6G (Rh6G)asa model fluorophore, we combined quantum chemical calculations withsteady-state and time-resolved spectroscopic techniques to elucidatestructure-PET relationships. Progressive alkyl substitution leadsto a significant enhancement in fluorescence quenching efficiency(67 to ∼90 %). While the free energy change (ΔG) exhibitsminor deviation, the donor–acceptor energy gap (ΔE) decreasessystematically, identifying ΔE as a key parameter governingPET efficiency in these systems. Time-resolved fluorescence and femtosecondtransient absorption measurements reveal the emergence of intrinsicPET dynamics on the ∼220–360 ps time scale and confirmthe formation of long-lived Rh6G radical species. Higher alkylatedderivatives exhibit mixed static-dynamic quenching, driven by enhancedground-state association. This behavior arises from a synergisticinterplay of increased electron density and hydrophobic interactions,which collectively promote efficient PET. These findings establisha mechanistic framework for tuning electron transfer in thiocarbonylsystems and provide design principles for advanced fluorescent probesand sensing platforms.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"17 40","pages":"11469–11478"},"PeriodicalIF":4.5,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124781","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nuclear-Spin-Dependent Photodissociation Dynamics of H2S+ via the A2A1(2, 9, 0) State H2S+通过A2A1（2,9,0）态的核自旋依赖光解动力学

IF 4.5 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-08 Epub Date: 2026-09-28 DOI: 10.1021/acs.jpclett.6c02726

Fuyan Wu, Peng Wang, Fan Li, Yaling Wang, Shengrui Yu, Daofu Yuan, Xingan Wang

{"title":"Nuclear-Spin-Dependent Photodissociation Dynamics of H2S+ via the A2A1(2, 9, 0) State","authors":"Fuyan Wu, Peng Wang, Fan Li, Yaling Wang, Shengrui Yu, Daofu Yuan, Xingan Wang","doi":"10.1021/acs.jpclett.6c02726","DOIUrl":"https://doi.org/10.1021/acs.jpclett.6c02726","url":null,"abstract":"Nuclear spin symmetry imposes rigorousselection ruleson the rotationallevels accessible to molecules with identical nuclei, potentiallyinfluencing nonadiabatic dynamical pathways. Here, we investigatethis role in the state-selected photodissociation of H2S+ via the A2A1 (2, 9, 0) state using time-sliced velocity map imaging of ortho-and para-enriched parent cations. Our results show strict conservationof nuclear spin symmetry, with H2 co-fragments selectivelypopulating odd- and even-JH2 states. Critically, fragment angular distributions exhibit a pronounceddependence on the parent’s nuclear spin symmetry. This highlightscompetition between the A2A1 → B2B2 → 14A2 and 12A′ → 14A″ dissociation pathways, governed strongly by nuclear spin,independent of rotational excitation. Furthermore, co-activating thesymmetric stretching mode (v1) alongsidethe bending mode (v2) amplifies thesesymmetry-dependent differences. These findings reveal a vibrational-mode-specificcoupling that actively steers nonadiabatic transition probabilitiesin molecular dissociation.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"17 40","pages":"11504–11510"},"PeriodicalIF":4.5,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124900","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A Divide-and-Conquer Embedded Correlated Wavefunction Transfer Learning Approach for Chemically Accurate Condensed-Phase Interatomic Potentials: Liquid Water as a Test Case 一种分而治之的嵌入式相关波函数传递学习方法用于化学精确的凝聚相原子间电位：以液态水为例

IF 4.5 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2026-10-08 Epub Date: 2026-09-29 DOI: 10.1021/acs.jpclett.6c02897

Xuezhi Bian, Emily A. Carter

{"title":"A Divide-and-Conquer Embedded Correlated Wavefunction Transfer Learning Approach for Chemically Accurate Condensed-Phase Interatomic Potentials: Liquid Water as a Test Case","authors":"Xuezhi Bian, Emily A. Carter","doi":"10.1021/acs.jpclett.6c02897","DOIUrl":"https://doi.org/10.1021/acs.jpclett.6c02897","url":null,"abstract":"Combining the accuracyof correlated wavefunction theorywith theefficiency of machine-learned interatomic potentials offers a promisingroute toward predictive condensed-phase dynamics. In our previouswork [J. Chem. Theory Comput.2026, 22(10), 5174−5184, https://doi.org/10.1021/acs.jctc.6c00403.], we introduced an embedded correlated wavefunction transferlearning (ECW-TL) approach, which efficiently refines a machine-learnedpotential to correlated-wavefunction accuracy within a predefinedregion containing the chemistry of interest. Although effective forlocalized processes such as ion pairing in solution, this formulationis not directly applicable to systems whose behavior and propertiesemerge collectively and cannot be confined to a selected region. Here,we overcome this limitation by developing a divide-and-conquer formulationof ECW-TL that partitions the system into embedded subsystems, enablingcorrelated-wavefunction corrections to be learned throughout the entiresimulation cell. We demonstrate the method using ambient liquid wateras a test case because of its diverse, collectively fluctuating hydrogen-bondingenvironments. The resulting potential fine-tuned at the embedded-CCSD(T)level improves the structural, thermodynamic, and dynamical propertiesof liquid water relative to underlying DFT models, bringing calculatedobservables closer to experiment. These results suggest that divide-and-conquerECW-TL provides a promising, scalable route toward accurate simulationsof complex condensed-phase systems.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"17 40","pages":"11430–11442"},"PeriodicalIF":4.5,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124952","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0