Journal of Chemical Physics最新文献_第5页

A self-adaptive tube restraint for free-energy calculations along path collective variables. 沿路径集体变量自由能计算的自适应管约束。

IF 3.7 2区化学

Journal of Chemical Physics Pub Date : 2026-10-14 DOI: 10.1063/5.0351430

Radu A Talmazan, Cheng Giuseppe Chen, Chenyu Tang, Christophe Chipot

{"title":"A self-adaptive tube restraint for free-energy calculations along path collective variables.","authors":"Radu A Talmazan, Cheng Giuseppe Chen, Chenyu Tang, Christophe Chipot","doi":"10.1063/5.0351430","DOIUrl":"https://doi.org/10.1063/5.0351430","url":null,"abstract":"Path collective variables reduce a high-dimensional transition to a progress coordinate, s, and an orthogonal distance, z. Computing the free energy along s often requires restraining z, so that sampling embraces a tube centered on the reference path. However, a conventional fixed half-harmonic wall demands an a priori wall position that is both system dependent and s-dependent. Too tight a tube biases the path-projected free energy. Conversely, too loose a tube induces numerical instability and inter-channel leakage. We present an adaptive tube restraint, the wall position of which evolves on the fly to track a fixed contour ΔF∗ of the orthogonal free energy F(z∣s), widening automatically in flat basins and narrowing at pinched saddles, using a user-selected transverse energy scale. We prove that, for a locally harmonic perpendicular well, a contour-following tube captures an s-independent fraction of the orthogonal partition function, so that in the hard-wall limit, its bias cancels out. In stark contrast, the bias of a fixed-width tube varies with s and distorts the free-energy landscape. We probe the algorithm on several model potentials, on N-acetyl-N'-methylalanylamide isomerization, on the folding of the mini-protein chignolin, and on the folding-upon-binding of the ribose-binding protein. The method is implemented in the open-source Colvars library and is, therefore, usable within popular MD engines, such as NAMD, LAMMPS, GROMACS, and Tinker-HP.","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"165 14","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149182197","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

Building new non-empirical hybrid and double-hybrid density functionals from the TCA family of GGA expressions. 从GGA表达的TCA家族中构建新的非经验杂交和双杂交密度泛函。

IF 3.7 2区化学

Journal of Chemical Physics Pub Date : 2026-10-14 DOI: 10.1063/5.0354074

P Maiz-Pastor, E Brémond, A J Pérez-Jiménez, C Adamo, J C Sancho-García

{"title":"Building new non-empirical hybrid and double-hybrid density functionals from the TCA family of GGA expressions.","authors":"P Maiz-Pastor, E Brémond, A J Pérez-Jiménez, C Adamo, J C Sancho-García","doi":"10.1063/5.0354074","DOIUrl":"https://doi.org/10.1063/5.0354074","url":null,"abstract":"The Tognetti-Cortona-Adamo (TCA) correlation functional, and their subsequent variants, constitutes an important family of nonempirical generalized gradient approximations that have found successful applications in molecular and solid-state electronic structure calculations. In this work, we present a systematic assessment of the original TCA functional together with the revTCA, gracTCA, and transTCA variants within nonempirical hybrid (TCA0) and double-hybrid (TCA-QIDH) frameworks. Their performance is evaluated using the comprehensive GMTKN55 benchmark database, including more detailed analysis of the challenging MB16-43 and SIE4x4 subsets, as well as three different global performance metrics: WTMAD-2A, WTMAD-2B, and the recently proposed WTMAD-4. The results reveal a consistent improvement in accuracy upon ascending \"Jacob's ladder,\" with the nonempirical double-hybrid models reducing the global errors by approximately a factor of 2-3 relative to their GGA counterparts. Among the semilocal functionals, the original TCA correlation provides the most balanced overall performance, while the differences among the various TCA-based models become much less pronounced at the double-hybrid level. Importantly, the relative ranking of the functionals is essentially unaffected by the choice of the WTMAD metric, demonstrating the robustness of the conclusions with respect to the weighting scheme adopted for the GMTKN55 database. The remaining deficiencies are associated with dispersion-dominated intermolecular interactions, highlighting the potential use of some long-range correlation corrections. Overall, this study confirms that the TCA functional, particularly when adopted in a double-hybrid scheme, constitutes a reliable and transferable framework for the development of accurate density functional approximations applicable to a broad range of chemical problems.","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"165 14","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149182211","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

Two-atom interaction potential database supporting physics-informed features for machine learning and material property prediction. 支持机器学习和材料属性预测的物理信息特征的双原子相互作用势数据库。

IF 3.7 2区化学

Journal of Chemical Physics Pub Date : 2026-10-14 DOI: 10.1063/5.0350327

Aniwat Kesorn, Cheewawut Na Talang, Asawin Sinsarp, Sujin Suwanna, Suraphong Yuma

{"title":"Two-atom interaction potential database supporting physics-informed features for machine learning and material property prediction.","authors":"Aniwat Kesorn, Cheewawut Na Talang, Asawin Sinsarp, Sujin Suwanna, Suraphong Yuma","doi":"10.1063/5.0350327","DOIUrl":"https://doi.org/10.1063/5.0350327","url":null,"abstract":"Accurately predicting the energy and relevant properties of molecules and complex crystalline systems remains a cornerstone of computational materials science. While density functional theory (DFT) offers high accuracy, its computational cost scales prohibitively for large-scale materials. In this work, we present a comprehensive, first-principles-derived database of two-atom interaction potentials and interatomic forces to accelerate the property prediction via physics-informed machine learning. Computed using spin-polarized DFT via the GPAW package, the database encompasses all 2346 possible atomic pairs generated from 68 unique elements as a function of interatomic distance. The practical utility of this database was demonstrated within the many-body expansion framework by engineering highly descriptive features to predict three distinct types of energy for benchmarking. First, the framework was applied to predict the total energy of molecules within the G2/97 database. Second, for defect energetics on 2D materials (the IMP2D database), localized concentric shell potentials and spatial gradients were introduced to capture the formation energy of adsorbate defects. Finally, for molecular energetics within the QM9 database, we developed advanced descriptors, including a potential-based matrix, a two-body Bag of Bonds, and a three-body Ray's asymmetric parameter histogram to evaluate atomization energy. Evaluated using kernel ridge regression, the combined two-body and three-body feature set yielded an outstanding test result with the mean absolute error of 0.186 eV (R2 = 0.9994) on a 10 000-samples subset. This framework showcases the power of utilizing explicit, database-derived potentials as robust descriptors for high-fidelity predictions of energy and relevant properties.","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"165 14","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149181503","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

Modulators selectively reshape α-synuclein phase transitions. 调节器有选择地重塑α-核蛋白相变。

IF 3.7 2区化学

Journal of Chemical Physics Pub Date : 2026-10-14 DOI: 10.1063/5.0354094

Holly Masson, Massimiliano Paesani, Ioana M Ilie

{"title":"Modulators selectively reshape α-synuclein phase transitions.","authors":"Holly Masson, Massimiliano Paesani, Ioana M Ilie","doi":"10.1063/5.0354094","DOIUrl":"https://doi.org/10.1063/5.0354094","url":null,"abstract":"Protein phase transitions govern numerous diseases, including neurodegenerative disorders. In Parkinson's disease, distinct species of the protein α-synuclein undergo phase transitions from disordered to ordered β-rich states. The emerging species and transitions between them can be reshaped by modulators, e.g., small molecules, peptides or antibodies. Here, we use coarse-grained simulations to understand the effect of modulators on the thermodynamics and kinetics of α-synuclein phase transitions. Each protein is represented as a morphing particle that transforms from a soft sphere (disordered) to a hard spherocylinder (β-rich). Modulators are modeled as soft isotropic particles mimicking peptides. Purely repulsive modulators do not alter the final outcome; that is, fibrils form following the same mechanisms independently of the modulator concentration. Attractive interactions toward the disordered protein dose-dependently slow down fibrillization by stabilizing intermediate species, including persistent disordered heteroclusters. Specific attraction to the β-rich state shortens fibrils through direct modulator surface \"capping\" that introduces kinetic barriers to monomer templating at the fibril ends and inhibits fibril elongation. Overall, these results link modulator properties and environmental conditions to nucleation, fibril elongation, and off-pathway trapping, providing a quantitative roadmap for designing interventions that redirect phase transitions toward desirable endpoints.","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"165 14","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149182143","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

Continuous and discontinuous transitions between double primitive network and body-centered cubic spheres. 双原始网络与体心立方球之间的连续和不连续转换。

IF 3.7 2区化学

Journal of Chemical Physics Pub Date : 2026-10-14 DOI: 10.1063/5.0357535

Juntong He, Xue-Hui Dong, Jiajia Zhou, An-Chang Shi

引用次数: 0

Quantum master equations for multisite exciton dynamics based on an extended perturbative approach: Redfield-Förster limits and application to the FMO complex. 量子主方程多点激子动力学基础上延长扰乱性的方法:Redfield-Forster限制和应用FMO复杂。

IF 3.7 2区化学

Journal of Chemical Physics Pub Date : 2026-10-14 DOI: 10.1063/5.0353431

Naoto Yatsuda, Akihiro Kimura

{"title":"Quantum master equations for multisite exciton dynamics based on an extended perturbative approach: Redfield-Förster limits and application to the FMO complex.","authors":"Naoto Yatsuda, Akihiro Kimura","doi":"10.1063/5.0353431","DOIUrl":"https://doi.org/10.1063/5.0353431","url":null,"abstract":"We extend an approximate method for excitation energy transfer, previously developed for two-pigment systems, to multisite systems. An iterative Givens-rotation algorithm is introduced to identify a basis that reduces the thermal average of the squared off-diagonal Hamiltonian elements, and the uniqueness of the converged solution is examined by varying the rotation order. For three-site models, the method approaches the Redfield and Förster limits in the corresponding parameter regimes and incorporates features of both limits in a mixed regime, reproducing the main qualitative characteristics of hierarchical-equations-of-motion dynamics. However, in an intermediate-coupling regime nonunique converged solutions with comparable perturbation measures yield different dynamics, indicating that the perturbation measure alone does not guarantee a reliable basis. Calculations for a standard seven-site FMO model demonstrate the numerical feasibility of the proposed approach for a biologically relevant multisite Hamiltonian. These results establish the potential utility of the method for multisite excitation-energy-transfer dynamics while identifying nonuniqueness of the optimized basis as an important practical limitation.","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"165 14","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149182306","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 harmonically coupled-anharmonic-oscillator approach for polyatomic chemistry modeling in DSMC. DSMC中多原子化学建模的谐波耦合-非谐波振荡器方法。

IF 3.7 2区化学

Journal of Chemical Physics Pub Date : 2026-10-07 DOI: 10.1063/5.0350361

S Lauterbach, F Tuttas, M Pfeiffer

{"title":"A harmonically coupled-anharmonic-oscillator approach for polyatomic chemistry modeling in DSMC.","authors":"S Lauterbach, F Tuttas, M Pfeiffer","doi":"10.1063/5.0350361","DOIUrl":"https://doi.org/10.1063/5.0350361","url":null,"abstract":"Atmospheric entry processes are characterized by high-enthalpy gas flows in strong thermo-chemical non-equilibrium. Accurate simulations of such conditions remain challenging due to the extreme conditions and the complex influence of internal energy modes. In particular, the common assumption of uncoupled harmonic vibrations may break down, and excited internal energy states can directly influence reaction rates. Previously, anharmonic oscillator models have been developed by other authors to improve the accuracy of the Direct Simulation Monte Carlo (DSMC) method under such conditions. However, this extension has so far been limited to diatomic molecules. To increase the accuracy of the DSMC method in the open-source code PICLas, the anharmonic oscillator model is extended to include polyatomic species. The proposed model explicitly considers anharmonic effects and intramolecular energy redistribution. The vibrational degrees of freedom are treated in a local mode basis, in which anharmonic stretching modes are harmonically coupled by harmonic bending modes. The coupling allows for the redistribution of localized vibrational excitation. Dissociation can occur by the strong excitation of a stretching mode, and specific modes can be coupled to the reaction coordinate of the transition state in bimolecular exchange reactions. The newly developed model is evaluated by the comparison with high-fidelity calculations for a set of representative processes. Investigated are different dissociation reactions, which exhibit a high degree of energy redistribution, and the hydrogen-exchange reaction between methane and a hydrogen radical, in which only selected modes contribute to the reactive process. In addition, the recombination-dissociation equilibrium system has been investigated for methane.","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"165 13","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149110239","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

Electronic origin of ion-specific structural responses: The role of charge density and self-interaction error. 离子特异性结构响应的电子起源：电荷密度和自相互作用误差的作用。

IF 3.7 2区化学

Journal of Chemical Physics Pub Date : 2026-10-07 DOI: 10.1063/5.0344736

Weiyu Li, Yankai Ding, Zhaoru Sun

{"title":"Electronic origin of ion-specific structural responses: The role of charge density and self-interaction error.","authors":"Weiyu Li, Yankai Ding, Zhaoru Sun","doi":"10.1063/5.0344736","DOIUrl":"https://doi.org/10.1063/5.0344736","url":null,"abstract":"Ab initio molecular dynamics provides a first-principles framework for aqueous systems but is limited in accuracy by self-interaction error (SIE) in exchange-correlation functionals. While SIE corrections are known to reduce the over-structured hydrogen bonding in bulk water, their impact on ion hydration remains unclear. Here, we employ machine learning molecular dynamics to systematically compare the Perdew-Burke-Ernzerhof functional with Tkatchenko-Scheffler-van der Waals dispersion correction and the strongly constrained and appropriately normed (SCAN) functional, thereby investigating the effects of different treatments of exchange-correlation (including SIE) on the hydration structure and electronic properties of Na+ and Cl- in aqueous solutions. We find that the SCAN functional yields a more ordered and compact first hydration shell of Na+, while leaving the orientational distribution of water molecules largely unchanged. In contrast, for Cl-, the Cl-water correlation of the first hydration shell remains nearly unchanged, whereas the orientational distribution of surrounding water molecules is significantly modified. Charge density analysis reveals that these differences originate from ion-dependent electronic responses: the charge density is more localized around Na+ under the SCAN description, strengthening Na+-water interactions, whereas Cl- is comparatively less affected. These results reveal that ion-specific hydration responses are governed by electronic structure effects, particularly charge-density differences associated with reduced SIE, and highlight the importance of accurate treatment of electronic structure in aqueous simulations.","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"165 13","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149110356","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

Heteronuclear polarization transfers between spin-locked and anti-longitudinal spin states in the NMR of liquids and spinning solids. 液体和自旋固体核磁共振中自旋锁定态和反纵向自旋态之间的异核极化转移。

IF 3.7 2区化学

Journal of Chemical Physics Pub Date : 2026-10-07 DOI: 10.1063/5.0347529

Sundaresan Jayanthi, Adonis Lupulescu, Julia Grinshtein, Lucio Frydman

{"title":"Heteronuclear polarization transfers between spin-locked and anti-longitudinal spin states in the NMR of liquids and spinning solids.","authors":"Sundaresan Jayanthi, Adonis Lupulescu, Julia Grinshtein, Lucio Frydman","doi":"10.1063/5.0347529","DOIUrl":"https://doi.org/10.1063/5.0347529","url":null,"abstract":"Recently, a three-spin rotating-frame nuclear magnetic resonance (NMR) analog of the cross effect, whereby polarization was transferred between two 13Cs and an 15N in a single crystal, was reported. This effect is closely related to the mixed rotational and rotary resonance (MIRROR) experiment, where spin-locked magnetization (e.g., from a 13C) could introduce an \"anti-longitudinal\" magnetization state in neighboring 1Hs, suitable for examining spin-diffusion under magic angle spinning (MAS). The present work revisits these experiments, as applied to the proton-driven enhancement of rare spins in liquids and in solids under MAS NMR. Average Hamiltonian Theory (AHT) is used to derive the conditions needed for implementing such three-spin transfer in liquids and solids, matching, for the latter case, the conditions derived by MIRROR studies based on triple-mode Floquet theory. AHT was also found in good quantitative agreement with numerical simulations and experiments, which predict that under optimal transfer conditions whereby an I-spin RF irradiation field matches the S1-S2 chemical-shift-difference, a maximum polarization enhancement of γS/γI is achieved. Ca. half of this was effectively obtained for I = 13C in powdered solids, and ca. a quarter in multi-spin solution systems. Such processes are of a reciprocal nature, meaning that the transverse spin-locked polarization of a rare spin can also become \"anti-longitudinal\" ±(S1z- S2z) magnetization of abundant spins. The roles played by many-body interactions, RF inhomogeneities, fast sample spinning, and interference from other coherences during the execution of these cross-polarization experiments were investigated, and are exemplified with experiments and simulations.","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"165 13","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149110319","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

Detection defines dephasing in two-dimensional electronic spectroscopy of materials: Coherent field emission vs incoherent population observables. 检测定义了材料二维电子光谱中的减相：相干场发射与非相干种群观测。

IF 3.7 2区化学

Journal of Chemical Physics Pub Date : 2026-10-07 DOI: 10.1063/5.0343402

Simón Paiva-Ortega, Hao Li, Eric R Bittner, Carlos Silva-Acuña

{"title":"Detection defines dephasing in two-dimensional electronic spectroscopy of materials: Coherent field emission vs incoherent population observables.","authors":"Simón Paiva-Ortega, Hao Li, Eric R Bittner, Carlos Silva-Acuña","doi":"10.1063/5.0343402","DOIUrl":"https://doi.org/10.1063/5.0343402","url":null,"abstract":"The homogeneous spectral linewidth associated with light-matter interactions is a fundamental descriptor of the optical properties of materials, governed by the quantum dynamics of the condensed-matter system. We discuss here that the homogeneous linewidth measured by means of two-dimensional electronic spectroscopy depends not only on the intrinsic microscopic dynamics of the material, but also on the observable through which those dynamics are projected onto the measurement. In this Perspective, we develop a unified framework showing that identical microscopic dynamics can yield different experimentally inferred dephasing times because different detection operators project different sectors of the nonequilibrium dynamics. For coherent emitted-field measurements, the observed linewidth largely retains its conventional connection to the optical coherence time T2. By contrast, in population-detected modalities such as photoluminescence, photocurrent, and other action-detected two-dimensional spectroscopies, the apparent linewidth can additionally encode excited-state population redistribution dynamics, leading naturally to an effective coherence time T2,eff. Using a coupled-mode model propagated under a common Liouvillian, we show that identical microscopic dynamics yield distinct apparent dephasing times when projected onto coherent-emission and population-derived observables. The detection observable is, therefore, not merely part of the experimental implementation but determines what dynamical information remains experimentally observable and how homogeneous linewidths should be interpreted as material descriptors.","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"165 13","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149110326","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