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(2021) Physical Chemistry Chemical Physics Vol. 23 (14) Royal Society of Chemistry (RSC)

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Reference TypeJournal (issue)
JournalPhysical Chemistry Chemical PhysicsISSN1463-9076
Year2021Volume23
Issue<   14   >
PublisherRoyal Society of Chemistry (RSC)
Mindat Ref. ID13747653Long-form Identifiermindat:1:5:13747653:6
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Full Reference(2021) Physical Chemistry Chemical Physics Vol. 23 (14) Royal Society of Chemistry (RSC)
Plain Text(2021) Physical Chemistry Chemical Physics Vol. 23 (14) Royal Society of Chemistry (RSC)
In(2021) Physical Chemistry Chemical Physics Vol. 23. Royal Society of Chemistry (RSC)

Contains

(2021) Front cover. Physical Chemistry Chemical Physics, 23 (14) 8077 doi:10.1039/d1cp90079j
(2021) Inside front cover. Physical Chemistry Chemical Physics, 23 (14) 8078 doi:10.1039/d1cp90080c
Colburn, Alex W., Levey, Katherine J., O'Hare, Danny, Macpherson, Julie V. (2021) Lifting the lid on the potentiostat: a beginner's guide to understanding electrochemical circuitry and practical operation. Physical Chemistry Chemical Physics, 23 (14) 8100-8117 doi:10.1039/d1cp00661d
Barlow, Kyle, Johansson, J. Olof (2021) Ultrafast photoinduced dynamics in Prussian blue analogues. Physical Chemistry Chemical Physics, 23 (14) 8118-8131 doi:10.1039/d1cp00535a
Hofmann, Oliver T., Zojer, Egbert, Hörmann, Lukas, Jeindl, Andreas, Maurer, Reinhard J. (2021) First-principles calculations of hybrid inorganic–organic interfaces: from state-of-the-art to best practice. Physical Chemistry Chemical Physics, 23 (14) 8132-8180 doi:10.1039/d0cp06605b
Santoro, Fabrizio, Green, James A., Martinez-Fernandez, Lara, Cerezo, Javier, Improta, Roberto (2021) Quantum and semiclassical dynamical studies of nonadiabatic processes in solution: achievements and perspectives. Physical Chemistry Chemical Physics, 23 (14) 8181-8199 doi:10.1039/d0cp05907b
Edge, Jacqueline S., O’Kane, Simon, Prosser, Ryan, Kirkaldy, Niall D., Patel, Anisha N., Hales, Alastair, Ghosh, Abir, Ai, Weilong, Chen, Jingyi, Yang, Jiang, Li, Shen, Pang, Mei-Chin, Bravo Diaz, Laura, Tomaszewska, Anna, Marzook, M. Waseem, Radhakrishnan, Karthik N., Wang, Huizhi, Patel, Yatish, Wu, Billy, Offer, Gregory J. (2021) Lithium ion battery degradation: what you need to know. Physical Chemistry Chemical Physics, 23 (14) 8200-8221 doi:10.1039/d1cp00359c
Hara, Nobuyuki, Kitahara, Maho, Sugimura, Takaharu, Toda, Hayato, Shizuma, Motohiro, Ito, Akari, Miyasaka, Makoto, Fujiki, Michiya, Imai, Yoshitane (2021) Sign dependence of MCPL spectra on type and position of substituent groups of pyrene and phenanthrene derivatives. Physical Chemistry Chemical Physics, 23 (14) 8236-8240 doi:10.1039/d1cp00259g
Wang, Mingqi, Zeng, Qingyi, Chang, Sheng, Li, Shanshan, Hu, Chun, Chen, Zhihong (2021) Improving the charge properties of the WO3 photoanode using a BiFeO3 ferroelectric nanolayer. Physical Chemistry Chemical Physics, 23 (14) 8241-8245 doi:10.1039/d0cp06214f
Malerz, Sebastian, Trinter, Florian, Hergenhahn, Uwe, Ghrist, Aaron, Ali, Hebatallah, Nicolas, Christophe, Saak, Clara-Magdalena, Richter, Clemens, Hartweg, Sebastian, Nahon, Laurent, Lee, Chin, Goy, Claudia, Neumark, Daniel M., Meijer, Gerard, Wilkinson, Iain, Winter, Bernd, ThĂŒrmer, Stephan (2021) Low-energy constraints on photoelectron spectra measured from liquid water and aqueous solutions. Physical Chemistry Chemical Physics, 23 (14) 8246-8260 doi:10.1039/d1cp00430a
Zemb, Thomas, Rosenberg, Rose, Marčelja, Stjepan, Haffke, Dirk, DufrĂȘche, Jean-François, Kunz, Werner, Horinek, Dominik, Cölfen, Helmut (2021) Phase separation of binary mixtures induced by soft centrifugal fields. Physical Chemistry Chemical Physics, 23 (14) 8261-8272 doi:10.1039/d0cp01527j
Machado, Neila, Callegaro, Clarissa, Christoffolete, Marcelo Augusto, Martinho, Herculano (2021) Tuning the transdermal transport by application of external continuous electric field: a coarse-grained molecular dynamics study. Physical Chemistry Chemical Physics, 23 (14) 8273-8281 doi:10.1039/d1cp00354b
Anzola, Mattia, Painelli, Anna (2021) Aggregates of polar dyes: beyond the exciton model. Physical Chemistry Chemical Physics, 23 (14) 8282-8291 doi:10.1039/d1cp00335f
MatthĂ­asson, KristjĂĄn, Kvaran, ÁgĂșst, Garcia, Gustavo A., Weidner, Peter, SztĂĄray, BĂĄlint (2021) Resolving the F2 bond energy discrepancy using coincidence ion pair production (cipp) spectroscopy. Physical Chemistry Chemical Physics, 23 (14) 8292-8299 doi:10.1039/d1cp00140j
Liu, Baoshun, Wang, Jiangyan, Parkin, Ivan P., Zhao, Xiujian (2021) The effect of Cu dopants on electron transfer to O2 and the connection with acetone photocatalytic oxidations over nano-TiO2. Physical Chemistry Chemical Physics, 23 (14) 8300-8308 doi:10.1039/d1cp00118c
Grimm, Owen C., Somaratne, R. M. Dulanga S., Wang, Yiwen, Kim, Sol, Whitten, James E. (2021) Thiol adsorption on metal oxide nanoparticles. Physical Chemistry Chemical Physics, 23 (14) 8309-8317 doi:10.1039/d1cp00506e
Zeng, Jian, Xu, Liang, Yang, Youwen, Luo, Xin, Li, Hong-Ju, Xiong, S. X., Wang, Ling-Ling (2021) Boosting the photocatalytic hydrogen evolution performance of monolayer C2N coupled with MoSi2N4: density-functional theory calculations. Physical Chemistry Chemical Physics, 23 (14) 8318-8325 doi:10.1039/d1cp00364j
Pribitzer, Stephan, Mannikko, Donald, Stoll, Stefan (2021) Determining electron–nucleus distances and Fermi contact couplings from ENDOR spectra. Physical Chemistry Chemical Physics, 23 (14) 8326-8335 doi:10.1039/d1cp00229e
Shi, Liping, Ma, Xiaoliang, Li, Mingwei, Zhong, Yesheng, Yang, Lin, Yin, Weilong, He, Xiaodong (2021) Molecular dynamics simulation of phonon thermal transport in nanotwinned diamond with a new optimized Tersoff potential. Physical Chemistry Chemical Physics, 23 (14) 8336-8343 doi:10.1039/d1cp00399b
Watanabe, Hiroshi C., Yamada, Masayuki, Suzuki, Yohichi (2021) Proton transfer in bulk water using the full adaptive QM/MM method: integration of solute- and solvent-adaptive approaches. Physical Chemistry Chemical Physics, 23 (14) 8344-8360 doi:10.1039/d1cp00116g
Kanai, Kaname, Inoue, Takuya, Furuichi, Takaya, Shinoda, Kaito, Iwahashi, Takashi, Ouchi, Yukio (2021) Electronic structure of n-cycloparaphenylenes directly observed by photoemission spectroscopy. Physical Chemistry Chemical Physics, 23 (14) 8361-8367 doi:10.1039/d1cp00625h
MartĂ­n PendĂĄs, A., Francisco, E. (2021) Local spin and open quantum systems: clarifying misconceptions, unifying approaches. Physical Chemistry Chemical Physics, 23 (14) 8375-8392 doi:10.1039/d0cp05946c
Ringleb, Andreas, Ruess, Raffael, Hofeditz, Nico, Heimbrodt, Wolfram, Yoshida, Tsukasa, Schlettwein, Derck (2021) Influence of Mg-doping on the characteristics of ZnO photoanodes in dye-sensitized solar cells. Physical Chemistry Chemical Physics, 23 (14) 8393-8402 doi:10.1039/d1cp00179e
Prabhu, M. K., Groot, I. M. N. (2021) Simultaneous sulfidation of Mo and Co oxides supported on Au(111) Physical Chemistry Chemical Physics, 23 (14) 8403-8412 doi:10.1039/d0cp03481a
Colherinhas, Guilherme (2021) Updating atomic charge parameters of aliphatic amino acids: a quest to improve the performance of molecular modeling via sequential molecular dynamics and DFT-GIAO-NMR calculations. Physical Chemistry Chemical Physics, 23 (14) 8413-8425 doi:10.1039/d1cp00183c
Mane, Jonathan Y., Michaelian, Kirk H., Stoyanov, Stanislav R., Billinghurst, Brant E., Zhao, Jianbao (2021) Computational and infrared spectroscopic investigations of N-substituted carbazoles. Physical Chemistry Chemical Physics, 23 (14) 8426-8438 doi:10.1039/d0cp03879b
Wang, Ying, Wemhoff, Piotr Igor, Lewandowski, MikoƂaj, Nilius, Niklas (2021) Electron stimulated desorption of vanadyl-groups from vanadium oxide thin films on Ru(0001) probed with STM. Physical Chemistry Chemical Physics, 23 (14) 8439-8445 doi:10.1039/d0cp06419j
Zhan, Shengpeng, Duan, Haitao, Pan, Lin, Tu, Jiesong, Jia, Dan, Yang, Tian, Li, Jian (2021) Molecular dynamics simulation of shock-induced microscopic bubble collapse. Physical Chemistry Chemical Physics, 23 (14) 8446-8455 doi:10.1039/d1cp00406a
Prokopev, Sergei, Lyubimova, Tatyana, Mialdun, Aliaksandr, Shevtsova, Valentina (2021) A ternary mixture at the border of Soret separation stability. Physical Chemistry Chemical Physics, 23 (14) 8466-8477 doi:10.1039/d0cp06471h
Kumar, Nandan, Saha, Soumen, Sastry, G. Narahari (2021) Towards developing a criterion to characterize non-covalent bonds: a quantum mechanical study. Physical Chemistry Chemical Physics, 23 (14) 8478-8488 doi:10.1039/d0cp05689h
Li, Bo, Sathishkumar, Palanivel, Gu, Feng Long (2021) Tuning the first hyperpolarizability of hexaphyrins with different connections of mislinked pyrrole units: a theoretical study. Physical Chemistry Chemical Physics, 23 (14) 8489-8499 doi:10.1039/d1cp00170a
Lin, Dongcheng, Zhang, Huixin, An, Xiaowei, Chang, Lutong, Alameen, Ayman, Ding, Shengqi, Du, Xiao, Hao, Xiaogang (2021) Theoretical calculation assisted materials screening of BiOX (X = F, Cl, Br, I) for electrochemical absorption of cesium ions. Physical Chemistry Chemical Physics, 23 (14) 8500-8507 doi:10.1039/d0cp06195f
Colmenero, Francisco (2021) Negative linear compressibility in nanoporous metal–organic frameworks rationalized by the empty channel structural mechanism. Physical Chemistry Chemical Physics, 23 (14) 8508-8524 doi:10.1039/d1cp00214g
Feng, Mudong, Gilson, Michael K. (2021) Mechanistic analysis of light-driven overcrowded alkene-based molecular motors by multiscale molecular simulations. Physical Chemistry Chemical Physics, 23 (14) 8525-8540 doi:10.1039/d0cp06685k
Yao, Zihang, Yang, Jiaqiang, Liu, Zhang, Shan, Bin, Chen, Rong, Wen, Yanwei, Li, Yanli (2021) Synergetic effect dependence on activated oxygen in the interface of NiOx-modified Pt nanoparticles for the CO oxidation from first-principles. Physical Chemistry Chemical Physics, 23 (14) 8541-8548 doi:10.1039/d1cp00149c
Liang, Yue, Zhang, Yichi, FĂĄbri, Csaba, Ma, Jiarui, Zhao, Jianbao, Billinghurst, Brant, Chen, Ziqiu (2021) High-resolution FTIR spectroscopy of benzaldehyde in the far-infrared region: probing the rotational barrier. Physical Chemistry Chemical Physics, 23 (14) 8549-8556 doi:10.1039/d1cp00188d
Chaughtai, Zulqarnain, Hashmi, Muhammad Ali, Yar, Muhammad, Ayub, Khurshid (2021) Electronic structure of polypyrrole composited with a low percentage of graphene nanofiller. Physical Chemistry Chemical Physics, 23 (14) 8557-8570 doi:10.1039/d0cp03258a
Kaczkowski, Jakub, Pugaczowa-Michalska, Maria, PƂowaƛ-Korus, Iwona (2021) Comparative density functional studies of pristine and doped bismuth ferrite polymorphs by GGA+U and meta-GGA SCAN+U. Physical Chemistry Chemical Physics, 23 (14) 8571-8584 doi:10.1039/d0cp06157c
Utpalla, P., Sharma, S. K., Deshpande, S. K., Bahadur, J., Sen, D., Sahu, M., Pujari, P. K. (2021) Role of free volumes and segmental dynamics on ion conductivity of PEO/LiTFSI solid polymer electrolytes filled with SiO2 nanoparticles: a positron annihilation and broadband dielectric spectroscopy study. Physical Chemistry Chemical Physics, 23 (14) 8585-8597 doi:10.1039/d1cp00194a
KlacsovĂĄ, MĂĄria, BĂłta, Attila, Westh, Peter, de Souza Funari, SĂ©rgio, UhrĂ­kovĂĄ, Daniela, BalgavĂœ, Pavol (2021) Thermodynamic and structural study of DMPC–alkanol systems. Physical Chemistry Chemical Physics, 23 (14) 8598-8606 doi:10.1039/d0cp04991c
Tang, Christopher R., Singh, Gurpreet, Housel, Lisa M., Kim, Sung Joo, Quilty, Calvin D., Zhu, Yimei, Wang, Lei, Takeuchi, Kenneth J., Takeuchi, Esther S., Marschilok, Amy C. (2021) Impact of sodium vanadium oxide (NaV3O8, NVO) material synthesis conditions on charge storage mechanism in Zn-ion aqueous batteries. Physical Chemistry Chemical Physics, 23 (14) 8607-8617 doi:10.1039/d1cp00516b
Taylor, Corey, Schönberger, Nora, LanĂ­kovĂĄ, Alice, Patzschke, Michael, Drobot, Björn, ĆœĂ­dek, LukĂĄĆĄ, Lederer, Franziska (2021) Investigation of the structure and dynamics of gallium binding to high-affinity peptides elucidated by multi-scale simulation, quantum chemistry, NMR and ITC. Physical Chemistry Chemical Physics, 23 (14) 8618-8632 doi:10.1039/d1cp00356a
Bessam, S., Reguig, F. Hamza, Krallafa, A. M., MartĂ­nez-Haya, B. (2021) Dynamics of coordination of H3O+ and NH4+ in crown ether cavities. Physical Chemistry Chemical Physics, 23 (14) 8633-8640 doi:10.1039/d1cp00575h
Dong, Yu, Kumar, Prashant, Maity, Partha, Kurganskii, Ivan, Li, Shujing, Elmali, Ayhan, Zhao, Jianzhang, Escudero, Daniel, Wu, Huijian, Karatay, Ahmet, Mohammed, Omar F., Fedin, Matvey (2021) Twisted BODIPY derivative: intersystem crossing, electron spin polarization and application as a novel photodynamic therapy reagent. Physical Chemistry Chemical Physics, 23 (14) 8641-8652 doi:10.1039/d1cp00948f
Yuan, Dingwang, Cai, Li, Xie, Tuanping, Liao, Heting, Hu, Wangyu (2021) Selective hydrogenation of acetylene on Cu–Pd intermetallic compounds and Pd atoms substituted Cu(111) surfaces. Physical Chemistry Chemical Physics, 23 (14) 8653-8660 doi:10.1039/d0cp05285j
RamĂ­rez-Garza, O. A., MĂ©ndez-Alcaraz, J. M., GonzĂĄlez-Mozuelos, P. (2021) Effects of the curvature gradient on the distribution and diffusion of colloids confined to surfaces. Physical Chemistry Chemical Physics, 23 (14) 8661-8672 doi:10.1039/d0cp06474b
Drzewicz, Anna, Jasiurkowska-Delaporte, MaƂgorzata, JuszyƄska-GaƂązka, Ewa, Zając, Wojciech, Kula, PrzemysƂaw (2021) On the relaxation dynamics of a double glass-forming antiferroelectric liquid crystal. Physical Chemistry Chemical Physics, 23 (14) 8673-8688 doi:10.1039/d0cp06203k
Ahlawat, Sarita, Srinivasu, K., Biswas, A., Choudhury, Niharendu (2021) Distortion energy-electronic energy compensation determines the nature of solute interactions with irradiation induced vacancies in ferritic steel. Physical Chemistry Chemical Physics, 23 (14) 8689-8704 doi:10.1039/d1cp00100k
Shimizu, Seishi, Matubayasi, Nobuyuki (2021) Cooperativity in micellar solubilization. Physical Chemistry Chemical Physics, 23 (14) 8705-8716 doi:10.1039/d0cp06479c
Varandas, A. J. C. (2021) Post-complete-basis-set extrapolation of conventional and explicitly correlated coupled-cluster energies: can the convergence to the CBS limit be diagnosed?. Physical Chemistry Chemical Physics, 23 (14) 8717-8730 doi:10.1039/d1cp00538c
Gacek, Daniel A., Betke, Alexander, Nowak, Julia, Lokstein, Heiko, Walla, Peter J. (2021) Two-photon absorption and excitation spectroscopy of carotenoids, chlorophylls and pigment–protein complexes. Physical Chemistry Chemical Physics, 23 (14) 8731-8738 doi:10.1039/d1cp00656h
FelĂ­cio-Sousa, Priscilla, Andriani, Karla F., Da Silva, Juarez L. F. (2021) Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters. Physical Chemistry Chemical Physics, 23 (14) 8739-8751 doi:10.1039/d0cp06091g
Arathala, Parandaman, Musah, Rabi A. (2021) Catalytic effect of water and formic acid on the reaction of carbonyl sulfide with dimethyl amine under tropospheric conditions. Physical Chemistry Chemical Physics, 23 (14) 8752-8766 doi:10.1039/d1cp00180a
Le, Van-Hoan, Tarantola, Alexandre, Caumon, Marie-Camille (2021) Interpretation of the pressure-induced Raman frequency shift of the Îœ1 stretching bands of CH4 and N2 within CH4–CO2, N2–CO2 and CH4–N2 binary mixtures. Physical Chemistry Chemical Physics, 23 (14) 8767-8777 doi:10.1039/d1cp00163a
Wang, Hao, Wang, Juan, Chen, Junhua, Herbers, Sven, Zheng, Huaili, Gou, Qian (2021) Competitive and cooperative n → π* and n → σ* interactions in benzaldehyde–formaldehyde: rotational characterization. Physical Chemistry Chemical Physics, 23 (14) 8778-8783 doi:10.1039/d0cp06409b
Meng, Qingling, Zhang, Ling, Wu, Jinge, Zhai, Shuwei, Hao, Xiamin, Li, Tianzhao, Dou, Wenzhen, Jia, Yizhen, Song, Biyu, Zhou, Miao (2021) First-principles screening of single transition metal atoms anchored on two-dimensional C9N4 for the nitrogen reduction reaction. Physical Chemistry Chemical Physics, 23 (14) 8784-8791 doi:10.1039/d0cp06617f
Cai, Qingan, McIntire, Michael, Daemen, Luke L., Li, Chen, Chronister, Eric L. (2021) Pressure- and temperature-dependent inelastic neutron scattering study of the phase transition and phonon lattice dynamics in para-terphenyl. Physical Chemistry Chemical Physics, 23 (14) 8792-8799 doi:10.1039/d1cp00190f
Beronio, Ellaine Rose A., Colambo, Ivy R., Padama, Allan Abraham B. (2021) The effects of substitutional doping on Cu vacancy formation in Cu2O(111): a density functional theory study. Physical Chemistry Chemical Physics, 23 (14) 8800-8808 doi:10.1039/d1cp00159k
Zhang, Xiaoren, Chen, Jun, Xu, Xin, Liu, Shu, Zhang, Dong H. (2021) A neural network potential energy surface for the F + H2O ↔ HF + OH reaction and quantum dynamics study of the isotopic effect. Physical Chemistry Chemical Physics, 23 (14) 8809-8816 doi:10.1039/d1cp00641j
Jiang, Yuhang, Wu, Yabei, Deng, Jianjun, Wang, Zhiyong (2021) Antiaromaticity–aromaticity transition of cyclo[16]carbon upon metal encapsulation. Physical Chemistry Chemical Physics, 23 (14) 8817-8824 doi:10.1039/d0cp06256a
Jana, Pritam Kumar, Lam, Julien, Mangal, Rahul, Alava, Mikko J., Parveen, Nagma, Laurson, Lasse (2021) Impurity-induced nematic–isotropic transition of liquid crystals. Physical Chemistry Chemical Physics, 23 (14) 8825-8835 doi:10.1039/d0cp06577c
Teboul, Victor, Ciobotarescu, Simona (2021) Orientation of motion of a flat folding nano-swimmer in soft matter. Physical Chemistry Chemical Physics, 23 (14) 8836-8846 doi:10.1039/d1cp00136a
Kostko, O., Xu, B., Ahmed, M. (2021) Local electronic structure of histidine in aqueous solution. Physical Chemistry Chemical Physics, 23 (14) 8847-8853 doi:10.1039/d1cp00361e
Ghosh, Tuhin, Marbey, Jonathan, Wernsdorfer, Wolfgang, Hill, Stephen, Abboud, Khalil A., Christou, George (2021) Exchange-biased quantum tunnelling of magnetization in a [Mn3]2 dimer of single-molecule magnets with rare ferromagnetic inter-Mn3 coupling. Physical Chemistry Chemical Physics, 23 (14) 8854-8867 doi:10.1039/d0cp06611g
Sudrajat, Hanggara, Kitta, Mitsunori, Ito, Ryota, Yoshida, Tomoko, Katoh, Ryuzi, Ohtani, Bunsho, Ichikuni, Nobuyuki, Onishi, Hiroshi (2021) The role of the shell in core–shell-structured La-doped NaTaO3 photocatalysts. Physical Chemistry Chemical Physics, 23 (14) 8868-8879 doi:10.1039/d1cp00375e
Servis, Michael J., Piechowicz, Marek, Skanthakumar, S., Soderholm, L. (2021) Molecular-scale origins of solution nanostructure and excess thermodynamic properties in a water/amphiphile mixture. Physical Chemistry Chemical Physics, 23 (14) 8880-8890 doi:10.1039/d1cp00082a
Chen, Han, Skylaris, Chris-Kriton (2021) Analysis of DNA interactions and GC content with energy decomposition in large-scale quantum mechanical calculations. Physical Chemistry Chemical Physics, 23 (14) 8891-8899 doi:10.1039/d0cp06630c
Wei, Zimu, Sharma, Sushil, Philip, Abbey M., Sengupta, Sanchita, Grozema, Ferdinand C. (2021) Excited state dynamics of BODIPY-based acceptor–donor–acceptor systems: a combined experimental and computational study. Physical Chemistry Chemical Physics, 23 (14) 8900-8907 doi:10.1039/d1cp00453k
Chen, Hsaio-Wen, Li, Chien-I, Ma, Chun-Hao, Chu, Ying-Hao, Liu, Hsiang-Lin (2021) Strain engineering of optical properties in transparent VO2/muscovite heterostructures. Physical Chemistry Chemical Physics, 23 (14) 8908-8915 doi:10.1039/d1cp00642h
Shahrokh, Leila, Omidyan, Reza, Azimi, Gholamhassan (2021) Theoretical insights on the excited-state-deactivation mechanisms of protonated thymine and cytosine. Physical Chemistry Chemical Physics, 23 (14) 8916-8925 doi:10.1039/d0cp06673g
Li, Min, Zhang, John Zeng Hui (2021) Multiscale polarizable coarse-graining water models on cluster-level electrostatic dipoles. Physical Chemistry Chemical Physics, 23 (14) 8926-8935 doi:10.1039/d1cp00338k
Yang, Junjie, Pei, Zheng, Deng, Jingheng, Mao, Yuezhi, Wu, Qin, Yang, Zhibo, Wang, Bin, Aikens, Christine M., Liang, Wanzhen, Shao, Yihan (2021) Correction: Analysis and visualization of energy densities. I. Insights from real-time time-dependent density functional theory simulations. Physical Chemistry Chemical Physics, 23 (14) 8936 doi:10.1039/d1cp90057a
Derr, James B., Tamayo, Jesse, Clark, John A., Morales, Maryann, Mayther, Maximillian F., Espinoza, Eli M., Rybicka-JasiƄska, Katarzyna, Vullev, Valentine I. (2021) Correction: Multifaceted aspects of charge transfer. Physical Chemistry Chemical Physics, 23 (14) 8937 doi:10.1039/d1cp90063c
Nam, Ho Ngoc, Yamada, Ryo, Okumura, Haruki, Nguyen, Tien Quang, Suzuki, Katsuhiro, Shinya, Hikari, Masago, Akira, Fukushima, Tetsuya, Sato, Kazunori (2021) Correction: Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study. Physical Chemistry Chemical Physics, 23 (14) 8938 doi:10.1039/d1cp90064a
(2021) Inside back cover. Physical Chemistry Chemical Physics, 23 (14) 8939 doi:10.1039/d1cp90082j
(2021) Back cover. Physical Chemistry Chemical Physics, 23 (14) 8940 doi:10.1039/d1cp90083h

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