PCCP. Physical Chemistry Chemical Physics - An International Journal
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
Inhaltsverzeichnis
- 1375
-
Front cover| 2023
- 1376
-
Inside front cover| 2023
- 1377
-
Contents list| 2023
- 1406
-
How titanium and iron are integrated into hematite to enhance the photoelectrochemical water oxidation: a reviewLv, Xiaoxin / Zhang, Gaoteng / Wang, Menglian et al. | 2023
- 1421
-
Connections between the accuracy of rotational constants and equilibrium molecular structuresPuzzarini, Cristina / Stanton, John F. et al. | 2023
- 1430
-
Quantum magnetic phenomena in engineered heterointerface of low-dimensional van der Waals and non-van der Waals materialsGogoi, Liyenda / Gao, Weibo / Ajayan, Pulickel M et al. | 2023
- 1457
-
Recent advances in room temperature phosphorescence materials: design strategies, internal mechanisms and intelligent optical applicationsXu, Xin / Yan, Bing et al. | 2023
- 1504
-
Self-assembled systems for artificial photosynthesisCampagna, Sebastiano / Nastasi, Francesco / La Ganga, Giuseppina et al. | 2023
- 1513
-
Extracting, quantifying, and comparing dynamical and biomechanical properties of living matter through single particle trackingScott, Shane / Weiss, Matthia / Selhuber-Unkel, Christine et al. | 2023
- 1538
-
Combining non-thermal plasma technology with photocatalysis: a critical reviewZhou, Jing / Wei, Tingcha / An, Xiaoqiang et al. | 2023
- 1546
-
Machine learning in computational chemistry: interplay between (non)linearity, basis sets, and dimensionalityManzhos, Sergei / Tsuda, Shunsaku / Ihara, Manabu et al. | 2023
- 1556
-
Four modifications of the Jahn–Teller effects. The problem of observables: spin–orbit interaction, tunneling splitting, and orientational polarization of solidsBersuker, I. B. et al. | 2023
- 1565
-
Structures, photoluminescence, and principles of self-activated phosphorsZhang, Jiawei / Song, Ziling / Cai, Peiqing et al. | 2023
- 1588
-
Dynamic domain boundaries: chemical dopants carried by moving twin wallsSalje, E. K. H. / Kustov, S. et al. | 2023
- 1602
-
An efficient algorithm for capturing quantum effects in classical reactive scattering: application to D + H+3 → H2D+ + HBraunstein, Matthew / Bonnet, Laurent et al. | 2023
- 1606
-
On the microscopic origin of Soret coefficient minima in liquid mixturesGittus, Oliver R. / Bresme, Fernando et al. | 2023
- 1612
-
Self-isomerization of nearly planar superatoms formed by actinide embedded gold clustersLiu, Zheng / Gao, Yang / Yu, Famin et al. | 2023
- 1616
-
High thermoelectric performance of a Sc2Si2Te6 monolayer at medium temperatures: an ab initio studyShi, Wenwu / Ge, Nina / Yu, Sheng et al. | 2023
- 1627
-
Energy dispersive anti-anharmonic effect in a Fano intervened semiconductor: revealed through temperature and wavelength-dependent Raman scatteringRani, Chanchal / Kandpal, Suchita / Ghosh, Tanushree et al. | 2023
- 1632
-
Structural, electronic phase transitions and thermal spin transport properties in 2D NbSe2 and NbS2: a first-principles studyLiu, Yuqi / Feng, Yulin / Hu, Lei et al. | 2023
- 1642
-
A systematic study on immiscible binary systems undergoing thermal/photo reversible chemical reactionsLi, Changhao / Li, Jianfeng / Zhang, Hongdong et al. | 2023
- 1649
-
Capillary-force-assisted self-assembly of gold nanoparticles into highly ordered plasmonic thin films for ultrasensitive SERSDong, Jun / Wu, Haoran / Cao, Yi et al. | 2023
- 1677
-
Metal cluster plasmons analyzed by energy-resolved photoemissionIwe, N. / Raspe, K. / Martinez, F. et al. | 2023
- 1685
-
Slow-light effects based on the tunable Fano resonance in a Tamm state coupled graphene surface plasmon systemRuan, Banxian / Li, Min / Liu, Chao et al. | 2023
- 1690
-
Multiphoton breakdown of acetylene; formation of organic building block fragmentsJiang, Meng-Xu / Giannakidis, Ioannis C. / Samartzis, Peter C. et al. | 2023
- 1717
-
Maximally valent orbitals in systems with non-ideal bond-angles: atomic Wannier orbitals guided by the Mayer bond orderDe, Joydev / N. S., Sujith / Hossain, Manoar et al. | 2023
- 1728
-
B–H⋯π and C–H⋯π interactions in protein–ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamidesFanfrlík, Jindřich / Brynda, Jiří / Kugler, Michael et al. | 2023
- 1734
-
Spontaneous emergence of enantioenriched chiral aldol reaction products from Achiral precursors in solution and origin of biological homochirality of sugars: a first-principles studyMauksch, Michael et al. | 2023
- 1755
-
Deciphering the ultrafast dynamics of a new tetraphenylethylene derivative in solutions: charge separation, phenyl ring rotation and C&z.dbd;C bond twistingde la Hoz Tomás, Mario / Yamaguchi, Mao / Cohen, Boiko et al. | 2023
- 1768
-
Shearing friction behaviour of synthetic polymers compared to a functionalized polysaccharide on biomimetic surfaces: models for the prediction of performance of eco-designed formulationsCoscia, Benjamin J. / Shelley, John C. / Browning, Andrea R. et al. | 2023
- 1781
-
Investigation of a bacteriochlorin-containing pentad array for panchromatic light-harvesting and charge separationJing, Haoyu / Magdaong, Nikki Cecil M. / Diers, James R. et al. | 2023
- 1799
-
Experimental demonstration of necessary conditions for X-ray induced synthesis of cesium superoxideEvlyukhin, Egor / Cifligu, Petrika / Pravica, Michael et al. | 2023
- 1808
-
High thermoelectric performance of two-dimensional layered AB2Te4 (A = Sn, Pb; B = Sb, Bi) ternary compoundsHuang, Yuhong / Yuan, Hongkuan / Chen, Hong et al. | 2023
- 1819
-
Choline chloride–formic acid mixture as a medium for the reduction of pertechnetates – electrochemical and spectroscopic studiesPołomski, Damian / DiBlasi, Nicole A. / Dardenne, Kathy et al. | 2023
- 1827
-
Dyads with tunable near-infrared donor–acceptor excited-state energy gaps: molecular design and Förster analysis for ultrafast energy transferJing, Haoyu / Magdaong, Nikki Cecil M. / Diers, James R. et al. | 2023
- 1848
-
The high magnetoresistance performance of epitaxial half-metallic CrO2-based magnetic junctionsZhang, Zhenhua / Cheng, Ming / Fan, Zhiqiang et al. | 2023
- 1858
-
Growth of carbon dots in nanoporous silica glasses for highly enhanced dual-wavelength emissionMa, Yunxiu / Ke, Xianzhi / Liu, Haolin et al. | 2023
- 1863
-
Relaxation dynamics of 3He and 4He clusters and droplets studied using near infrared and visible fluorescence excitation spectroscopyvon Haeften, Klau / Laarmann, Tim / Wabnitz, Hubertu et al. | 2023
- 1881
-
Exploring a novel class of Janus MXenes by first principles calculations: structural, electronic and magnetic properties of Sc2CXT, X = O, F, OH; T = C, S, NÖzcan, S. / Biel, B. et al. | 2023
- 1889
-
Stabilization of Eu2+ in Li2B4O7 with the BO3 network through U6+ co-doping and defect engineeringBalhara, Annu / Gupta, Santosh K. / Patra, G. D. et al. | 2023
- 1903
-
A comprehensive benchmark investigation of quantum chemical methods for carbocationsde Oliveira, Marcelo T. / Alves, Júlia M. A. / Vrech, Natália L. et al. | 2023
- 1923
-
Wavepacket dynamical study of H-atom tunneling in catecholate monoanion: the role of intermode couplings and energy flowBhattacharyya, Debabrata / Ramesh, Sai G. et al. | 2023
- 1937
-
Dynamics of self-propelled tracer particles inside a polymer networkKumar, Praveen / Chakrabarti, Rajarshi et al. | 2023
- 1947
-
Nucleophilic substitution reactions of microsolvated hydroperoxide anion HOO−(NH3)n with methyl chloride and comparison between ammonia and water as the solventHu, Yang / Wu, Xiangyu / Xie, Jing et al. | 2023
- 1957
-
Phenylethynylanthracene based push–pull molecular systems: tuning the photophysics through para-substituents on the phenyl ringSahu, Sonali / Parthasarathy, Venkatakrishnan / Mishra, Ashok Kumar et al. | 2023
- 1970
-
Large-fused-ring-based D–A type electrochromic polymer with magenta/yellowish green/cyan three-color transitionsMing, Shouli / Zhang, Yuling / Lin, Kaiwen et al. | 2023
- 1977
-
Toward a new definition of surface energy for late transition metalsBoucher, Alexandre / Jones, Glenn / Roldan, Alberto et al. | 2023
- 1987
-
Thermoelectric properties and lattice dynamics of tetragonal topological semimetal Ba3Si4Viennois, Romain / Koza, Michael Marek / Moll, Adrien et al. | 2023
- 1998
-
Design and analysis of in-plane and out-of-plane heterostructures based on monolayer tri-G with enhanced photocatalytic property for water splittingWang, Huijuan / Zheng, Xiaole / Li, Xinxin et al. | 2023
- 2012
-
Achieving high quantum capacitance graphdiyne through doping and adsorptionYang, Guangmin / Li, Zhuo / Wang, Siqi et al. | 2023
- 2019
-
Electron nuclear dynamics of time-dependent symmetry breaking in H+ + H2O at ELab = 28.5–200.0 eV: a prototype for ion cancer therapy reactionsDomínguez, Juan C. / Kim, Hyunsik / Silva, Eivson D. et al. | 2023
- 2035
-
Trapping of single diffusing particles by a circular disk on a reflecting flat surface. Absorbing hemisphere approximationDagdug, Leonardo / Berezhkovskii, Alexander M. / Bezrukov, Sergey M. et al. | 2023
- 2043
-
Electronic state evolution of oxygen-doped monolayer WSe2 assisted by femtosecond laser irradiationWang, Lei / Wang, Dan / Luo, Yang et al. | 2023
- 2050
-
Enhanced chirality in a dielectric metasurface without breaking symmetryLiu, Xingguang / Li, Junqing / Zhao, Rui et al. | 2023
- 2056
-
One dimensional MOSFETs for sub-5 nm high-performance applications: a case of Sb2Se3 nanowiresTan, Xingyi / Li, Qiang / Ren, Dahua et al. | 2023
- 2063
-
Improving the IR spectra alignment algorithm with spectra deconvolution and combination with Raman or VCD spectroscopyBöselt, Lennard / Aerts, Roy / Herrebout, Wouter et al. | 2023
- 2075
-
Visualizing screening in noble-metal clusters: static vs. dynamicSinha-Roy, Rajarshi / García-González, Pablo / López-Lozano, Xóchitl et al. | 2023
- 2084
-
Adsorption kinetics of NO2 gas on oxyfluorinated graphene filmSysoev, Vitalii I. / Yamaletdinov, Ruslan D. / Plyusnin, Pavel E. et al. | 2023
- 2090
-
[Zn2+–Ge4+] co-substitutes [Ga3+–Ga3+] to coordinately broaden the near-infrared emission of Cr3+ in Ga2O3 phosphorsLin, Jianhua / Zhou, Liuyan / Shen, Yuyu et al. | 2023
- 2098
-
Uncovering water effects in protein–ligand recognition: importance in the second hydration shell and binding kineticsChen, Wei / He, Huan / Wang, Jing et al. | 2023
- 2110
-
Periodic aggregation patterns of oxide particles on corroding metals: chemical waves due to solution feedback processesShin, Youn G. / Guo, Dan / Payne, Nicholas A. et al. | 2023
- 2131
-
Efficient and accurate density-based prediction of macromolecular polarizabilitiesZhao, Dongbo / Zhao, Yilin / He, Xin et al. | 2023
- 2142
-
Ab initio molecular dynamics study of proton transport in imidazolium-based ionic liquids with added imidazoleMoses, Aurelia A. / Arntsen, Christopher et al. | 2023
- 2153
-
A direct approach toward investigating DNA–ligand interactions via surface-enhanced Raman spectroscopy combined with molecular dynamics simulationsWang, Yunpeng / Shi, Na / He, Yingying et al. | 2023
- 2161
-
Nano-droplet jumping due to surface wettability variation: molecular modeling approachFarrokhbin, Mojtaba / Hashemzadeh Rizi, Saeed / Lohrasebi, Amir et al. | 2023
- 2167
-
First principles study of layered scandium disulfide for use as Li-ion and beyond-Li-ion batteriesPrice, Conor Jason / Pitfield, Joe / Baker, Edward Allery David et al. | 2023
- 2179
-
Elucidation of complex triplet excited state dynamics in Pd(ii) biladiene tetrapyrrolesMartin, Shea M. / Repa, Gil M. / Hamburger, Robert C. et al. | 2023
- 2190
-
Insight into the solvent effects on ethanol oxidation on Ir(100)Wu, Ruitao / Wang, Lichang et al. | 2023
- 2203
-
Untangling product selectivity on clean low index rutile TiO2 surfaces using first-principles calculationsMalik, Anum Shahid / Fredin, Lisa A. et al. | 2023
- 2212
-
Structure and magnetism of electrospun porous high-entropy (Cr1/5Mn1/5Fe1/5Co1/5Ni1/5)3O4, (Cr1/5Mn1/5Fe1/5Co1/5Zn1/5)3O4 and (Cr1/5Mn1/5Fe1/5Ni1/5Zn1/5)3O4 spinel oxide nanofibersPonti, Alessandro / Triolo, Claudia / Petrovičovà, Beatrix et al. | 2023
- 2227
-
Hydrogen-induced phase stability and phonon mediated-superconductivity in two-dimensional van der Waals Ti2C MXene monolayerTsuppayakorn-aek, P. / Bovornratanaraks, T. / Ahuja, R. et al. | 2023
- 2234
-
Brave new surfactant world revisited by thermoalkalophilic lipases: computational insights into the role of SDS as a substrate analogShehata, Mohamed / Ünlü, Aişe / Iglesias-Fernández, Javier et al. | 2023
- 2248
-
Laser polarization-controlled photoreduction of samarium ions in sodium aluminoborate glassWang, Jianguo / Pan, Zhen / Deng, Lianzhong et al. | 2023
- 2256
-
Enhancing pressure consistency and transferability of structure-based coarse-grainingTang, Jiahao / Kobayashi, Takayuki / Zhang, Hedong et al. | 2023
- 2265
-
The nature of stability and adsorption interactions of binary Au–Li clusters with bridge adsorption structuresZhang, Manli / Zhu, Qiyong / Liu, Qiman et al. | 2023
- 2274
-
Two-dimensional Janus Si dichalcogenides: a first-principles studyGuo, San-Dong / Feng, Xu-Kun / Zhu, Yu-Tong et al. | 2023
- 2282
-
Understanding the different effects of 4d-transition metals on the performance of Li-rich cathode Li2MnO3 by first-principlesZhang, Shiwei / Wang, Jianchuan / Tao, Xiaoma et al. | 2023
- 2294
-
Palladium-catalyzed generation of CO from formic acid for alkoxycarbonylation of internal alkenes involves a PTSA-assisted NH–Pd mechanism: a DFT mechanistic studyLi, Jingjing / Wang, Jinzhao et al. | 2023
- 2304
-
Investigation on the interaction mechanism of different SARS-CoV-2 spike variants with hACE2: insights from molecular dynamics simulationsWu, Jianhua / Zhang, Hong-Xing / Zhang, Jilong et al. | 2023
- 2320
-
The bandgap of sulfur-doped Ag2O nanoparticlesDe, Arup Kumar / Kamal, Neha / Kumar, Uttam et al. | 2023
- 2331
-
Chemical bonds in collagen rupture selectively under tensile stressRowe, Jame / Röder, Konstantin et al. | 2023
- 2342
-
Rich magnetic phase transitions and completely dual-spin polarization of zigzag PC3 nanoribbons under uniaxial strainNi, Hui-Min / He, Jing-Jing / Guo, Fang-Wen et al. | 2023
- 2349
-
First-principles based deep neural network force field for molecular dynamics simulation of N–Ga–Al semiconductorsHuang, Zixuan / Wang, Quanjie / Liu, Xinyu et al. | 2023
- 2359
-
Is a thin mechanism appropriate for aromatic nitration?Ambrosio, Francesco / Capobianco, Amedeo / Landi, Alessandro et al. | 2023
- 2366
-
Polarization-resolved and helicity-resolved Raman spectra of monolayer XP3 (X = Ge and In)Huang, Haiming / Liu, Huijun / Ding, Mingquan et al. | 2023
- 2377
-
Transformer-based deep learning method for optimizing ADMET properties of lead compoundsYang, Lijuan / Jin, Chao / Yang, Guanghui et al. | 2023
- 2386
-
Manganese substitution induced magnetic transformation and magnetoelectricity in SrFe12O19Sahoo, M. R. / Barik, A. / Ghosh, R. et al. | 2023
- 2401
-
Tris(dialkylamino)cyclopropenium dialkylphosphate ionic liquids as lubricantsCurnow, Owen J. / Senthooran, Rathiga / Somers, Anthony E. et al. | 2023
- 2411
-
TICT compounds by design: comparison of two naphthalimide-π-dimethylaniline conjugates of different lengths and ground state geometriesJovaišaitė, Justina / Baronas, Pauliu / Jonusauskas, Gedimina et al. | 2023
- 2420
-
Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactionsDohmen, Robin / Fedosov, Deni / Obenchain, Daniel A. et al. | 2023
- 2430
-
A graphene-like semiconducting BC2P monolayer as a promising material for a Li-ion battery and CO2 adsorbentFu, Xi / Cheng, Xiaoli / He, Chaozheng et al. | 2023
- 2439
-
Mechanistic study to reveal steric and electronic aspects involved in the formation of microstructures during Pd-catalyzed olefin/divinyl formal copolymerization: reactivity to catalyst choiceMehmood, Andleeb / Mahmood, Ayyaz / Xu, Xiaowei et al. | 2023
- 2451
-
Locating the hydrogen atoms in endohedral clusterfullerenes by density functional theoryLi, Bo / Lou, Lei / Jin, Peng et al. | 2023
- 2462
-
Electronic and thermal transport properties of the metallic antiferromagnet MnSn2Yang, Mingge / Wang, Ziyue / Li, Jiangxiao et al. | 2023
- 2468
-
Role of inorganic cations in the excitonic properties of lead halide perovskitesWierzbowska, Małgorzata / Meléndez, Juan José et al. | 2023
- 2477
-
An empirical experimental investigation on the effect of an external electric field on the behaviour of laser-induced cavitation bubblesPhukan, Arindom / Kharphanbuh, Sanchia M. / Nath, Arpita et al. | 2023
- 2486
-
DNMR measurements of an asymmetric odd liquid crystal dimer: determination of the intramolecular angle and the degree of order of the two rigid coresSebastián, Nerea / Zupančič, Blaz / Zalar, Boštjan et al. | 2023
- 2498
-
Carbon dioxide hydrogenation over the carbon-terminated niobium carbide (111) surface: a density functional theory studySarabadani Tafreshi, Saeedeh / Ranjbar, Mahkameh / Jamaati, Maryam et al. | 2023
- 2510
-
Accurate measurement of sequential Ar desorption energies from the dispersion-dominated Ar1–3 complexes of aromatic moleculesKhodia, Saurabh / Jarupula, Ramesh / Maity, Surajit et al. | 2023
- 2517
-
Thermal transport across the CoSb3–graphene interfaceYin, Kaili / Shi, Liping / Zhong, Yesheng et al. | 2023
- 2523
-
Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a multi-level computational approachPrampolini, Giacomo / Campetella, Marco / Ferretti, Alessandro et al. | 2023
- 2537
-
Density functional theory based indicators to predict the corrosion inhibition potentials of ceramic oxides in harsh corrosive mediaThomas, Anson / Khan, Tuhin S. / Gupta, Puneet et al. | 2023
- 2546
-
Nitrogen–phosphorus codoped carbon nanotube sponges for detecting volatile organic compounds: experimental and DFT calculationsMartínez-Iniesta, Armando D. / Muñoz-Sandoval, Emilio / Morán-Lázaro, Juan P. et al. | 2023
- 2566
-
How do salt and lipids affect conformational dynamics of Aβ42 monomers in water?Andrews, Brian / Ruggiero, Thoma / Urbanc, Brigita et al. | 2023
- 2584
-
CO2 hydrogenation to formic acid on Pd–Cu nanoclusters: a DFT studyChattaraj, D. / Majumder, C. et al. | 2023
- 2595
-
Impacts of external fields on aromaticity and acidity of benzoic acid: a density functional theory, conceptual density functional theory and information-theoretic approach studyLi, Meng / Wan, Xinjie / He, Xin et al. | 2023
- 2606
-
Revealing the incorporation of an NH2 group into the edge of carbon dots for H2O2 sensing via the C–N⋯H hydrogen bond interactionPutro, Permono Adi / Maddu, Akhiruddin / Hardhienata, Hendradi et al. | 2023
- 2618
-
Total exfoliation of graphite in molten saltsLavi, Adi / Pyrikov, Michael / Ohayon-Lavi, Avia et al. | 2023
- 2629
-
Ion–molecule reactions in the HBr+ + HCl (DCl) system: a combined experimental and theoretical studyPlamper, Dominik / Fujioka, Kazuumi / Schmidt, Sebastian et al. | 2023
- 2641
-
Correction: Molecular cluster analysis using local order parameters selected by machine learningTakahashi, Kazuaki Z. et al. | 2023
- 2643
-
Inside back cover| 2023
- 2644
-
Back cover| 2023