 |
 |
 |
|
| Ab initio study revealing remarkable oscillatory effects and negative differential resistance in the molecular device of silicon carbide chains
Yi Mu, Jie Yu, Rui Hu, Cui-Hong Wang, Cai Cheng and Bang-Pin Hou Phys. Chem. Chem. Phys., 2023, 25, 13265 DOI:10.1039/D2CP05677A |
Efficient sampling of molecular orientations for Cu(II)-based DEER on protein labels
Zikri Hasanbasri, Nicholas A. Moriglioni and Sunil Saxena Phys. Chem. Chem. Phys., 2023, 25, 13275 DOI:10.1039/D3CP00404J |
Electronegativity principle for hydrogen evolution activity using first-principles calculations
Yi An, Min Ouyang, Shaoyu Kong, Guangjin Wang and Xiaobo Chen Phys. Chem. Chem. Phys., 2023, 25, 13289 DOI:10.1039/D2CP06067A |
 |
 |
 |
|
| In situ synthesis of Cu(II) dicarboxylate metal organic frameworks (MOFs) and their application as battery materials
Matthew Teusner, Jitendra Mata and Neeraj Sharma Phys. Chem. Chem. Phys., 2023, 25, 12684 DOI:10.1039/D3CP00029J |
How do density functionals affect the Hirshfeld atom refinement?
Bruno Landeros-Rivera, David Ramírez-Palma, Fernando Cortés-Guzmán, Paulina M. Dominiak and Julia Contreras-García Phys. Chem. Chem. Phys., 2023, 25, 12702 DOI:10.1039/D2CP04098K |
How water desorbs from calcite
Tobias Dickbreder, Dirk Lautner, Antonia Köhler, Lea Klausfering, Ralf Bechstein and Angelika Kühnle Phys. Chem. Chem. Phys., 2023, 25, 12694 DOI:10.1039/D3CP01159C |
 |
 |
||
| Infrared spectra of isoquinolinium (iso-C9H7NH+) and isoquinolinyl radicals (iso-C9H7NH and 1-, 3-, 4-, 5-, 6-, 7- and 8-iso-HC9H7N) isolated in solid para-hydrogen
Prasad Ramesh Joshi, Masashi Tsuge, Chih-Yu Tseng and Yuan-Pern Lee Phys. Chem. Chem. Phys., 2023, 25, 11934 DOI:10.1039/D3CP00246B |
Diamondoid ether clusters in helium nanodroplets
Jasna Alić, Roman Messner, Marija Alešković, Florian Küstner, Mirta Rubčić, Florian Lackner, Wolfgang E. Ernst and Marina Šekutor Phys. Chem. Chem. Phys., 2023, 25, 11951 DOI:10.1039/D3CP00489A |
 |
 |
||
| First (e,e) coincidence measurements on solvated sodium benzoate in water using a magnetic bottle time-of-flight spectrometer
L. Huart, M. Fournier, R. Dupuy, R. Vacheresse, M. Mailhiot, D. Cubaynes, D. Céolin, M. A. Hervé du Penhoat, J. P. Renault, J.-M. Guigner, A. Kumar, B. Lutet-Toti, J. Bozek, I. Ismail, L. Journel, P. Lablanquie, F. Penent, C. Nicolas and J. Palaudoux Phys. Chem. Chem. Phys., 2023, 25, 11085 DOI:10.1039/D2CP02982K |
Multifaceted folding–unfolding landscape of the TrpZip2 β-hairpin and the role of external sub-piconewton mechanical tensions
Nayana Edavan Chathoth, Aparna G Nair and Padmesh Anjukandi Phys. Chem. Chem. Phys., 2023, 25, 11093 DOI:10.1039/D2CP05770K |
 |
 |
||
| The role of solvents and concentrations in the properties of oxime bearing A2B corroles
Ana Clara B. Rodrigues, Susana M. M. Lopes, Carla Cunha, João Braz, Teresa M. V. D. Pinho e Melo, J. Sérgio Seixas de Melo and Marta Pineiro Phys. Chem. Chem. Phys., 2023, 25, 10263 DOI:10.1039/D2CP05941J |
Effects of aggregation on the structures and excited-state absorption for zinc phthalocyanine
Hongjuan Zhu, Danyang Zhang, Eryin Feng and Xiaowei Sheng Phys. Chem. Chem. Phys., 2023, 25, 10278 DOI:10.1039/D2CP04372F |
 |
 |
||
| The structure of protic ionic liquids based on sulfuric acid, doped with excess of sulfuric acid or with water
Anne McGrogan, Emily L. Byrne, Robert Guiney, Thomas F. Headen, Tristan G. A. Youngs, Anna Chrobok, John D. Holbrey and Małgorzata Swadźba-Kwaśny Phys. Chem. Chem. Phys., 2023, 25, 9785 DOI:10.1039/D2CP04292D |
ESIPT in the pyrrol pyridine molecule: mechanism, timescale and yield revealed using dynamics simulations
Anthony Ferté, Axel Houssin, Nina Albouy, Isabella C. D. Merritt and Morgane Vacher Phys. Chem. Chem. Phys., 2023, 25, 9761 DOI:10.1039/D3CP00026E |
 |
 |
||
| The contribution of inner electron excitation to the electronic stopping power of palladium for protons
Wen-Qi Jin, Fei Mao, Shi-Ming Li, Wen-Qi Zuo, Rui-Da Chen, Ge-Ge Xiong, Hong Mao, Feng Wang and Feng-Shou Zhang Phys. Chem. Chem. Phys., 2023, 25, 9043 DOI:10.1039/D2CP05510D |
Micro-Raman spectroscopic analysis of liquid–liquid phase separation
Suin Choi, So Yeon Chun, Kyungwon Kwak and Minhaeng Cho Phys. Chem. Chem. Phys., 2023, 25, 9051 DOI:10.1039/D2CP05115J |
 |
 |
 |
 |
| A multiple-step screening protocol to identify norepinephrine and dopamine reuptake inhibitors for depression
Panpan Wang, Fengmei Yan, Jianghong Dong, Shengqiang Wang, Yu Shi, Mengdan Zhu, Yuting Zuo, Hui Ma, Ruirui Xue, Dingjie Zhai and Xiaoyu Song Phys. Chem. Chem. Phys., 2023, 25, 8341 DOI:10.1039/D2CP05676C |
Prediction of the structures and heats of formation of MO2, MO3, and M2O5 for M = V, Nb, Ta, Pa
Eddy Lontchi, Marcos M. Mason, Monica Vasiliu and David A. Dixon Phys. Chem. Chem. Phys., 2023, 25, 8355 DOI:10.1039/D3CP00380A |
An interplay between a hydrogen atmosphere and dislocation characteristics in BCC Fe from time-averaged molecular dynamics
C. Nowak and X. W. Zhou Phys. Chem. Chem. Phys., 2023, 25, 8369 DOI:10.1039/D2CP05024B |
Construction and application of carbon aerogels in microwave absorption
Yifan Guo, Junhua Su, Tongxin Bian, Jing Yan, Longkun Que, Hunan Jiang, Jinlong Xie, Ying Li, Yong Wang and Zuowan Zhou Phys. Chem. Chem. Phys., 2023, 25, 8244 DOI:10.1039/D2CP05715H |
 |
 |
 |
|
| Charge fluctuation drives anion rotation to enhance the conductivity of Na11M2PS12 (M = Si, Ge, Sn) superionic conductors
Liangyu Hu, Jitai Yang, Yu Zhai, Jing Yang and Hui Li Phys. Chem. Chem. Phys., 2023, 25, 7634 DOI:10.1039/D3CP00364G |
Role of phosphatidylserine in amyloid-beta oligomerization at asymmetric phospholipid bilayers
Jack Robinson, Nirod Kumar Sarangi and Tia E. Keyes Phys. Chem. Chem. Phys., 2023, 25, 7648 DOI:10.1039/D2CP03344E |
A theoretical study of M–M′ polar-covalent bonding in heterobimetallic multinuclear organometallic complexes of monovalent group 11 metal centres
Hassan Rabaâ, Dage Sundholm and Mohammad A. Omary Phys. Chem. Chem. Phys., 2023, 25, 7642 DOI:10.1039/D2CP04774H |
 |
|||
| Synthesis of Pt3Zn1 and Pt1Zn1 intermetallic nanocatalysts for dehydrogenation of ethane
Zhuoran Gan, Zheng Lu, Muntaseer Bunian, Larissa B. Lagria, Christopher L. Marshall, R. Michael Banish, Sungsik Lee and Yu Lei Phys. Chem. Chem. Phys., 2023, 25, 7144 DOI:10.1039/D2CP04173A |
 |
|||
| Unraveling the initial steps of the ignition chemistry of the hypergolic ionic liquid 1-ethyl-3-methylimidazolium cyanoborohydride ([EMIM][CBH]) with nitric acid (HNO3) exploiting chirped pulse triggered droplet merging
Souvick Biswas, Ivan Antonov, Kazuumi Fujioka, Grace L. Rizzo, Steven D. Chambreau, Stefan Schneider, Rui Sun and Ralf I. Kaiser Phys. Chem. Chem. Phys., 2023, 25, 6602 DOI:10.1039/D2CP05943F |
 |
 |
 |
|
| Entropic contributions to the stability of electrochemically adsorbed anion layers on Au(111): a microcalorimetric study
Marco Schönig and Rolf Schuster Phys. Chem. Chem. Phys., 2023, 25, 5948 DOI:10.1039/D2CP04680F |
Chirped pulse Fourier-transform microwave spectroscopy of alcohol and water tetramers
S. E. Dutton, E. M. Mastin and G. A. Blake Phys. Chem. Chem. Phys., 2023, 25, 5960 DOI:10.1039/D2CP05022F |
Effect of total charge on the electronic structure of thiolate-protected X@Ag12 superatoms (X = Ag, Au)
Katsunosuke Nakamura, Shun Ito, Kiichirou Koyasu and Tatsuya Tsukuda Phys. Chem. Chem. Phys., 2023, 25, 5955 DOI:10.1039/D2CP05079J |
 |
 |
 |
 |
| 1H chemical shift anisotropy: a high sensitivity solid-state NMR dynamics probe for surface studies?
Scott A. Southern, Da-Jiang Liu, Puranjan Chatterjee, Yuting Li and Frédéric A. Perras Phys. Chem. Chem. Phys., 2023, 25, 5348 DOI:10.1039/D2CP04406D |
Non-ergodic fragmentation upon collision-induced activation of cysteine–water cluster cations
Lukas Tiefenthaler, Paul Scheier, Ewa Erdmann, Néstor F. Aguirre, Sergio Díaz-Tendero, Thomas F. M. Luxford and Jaroslav Kočišek Phys. Chem. Chem. Phys., 2023, 25, 5361 DOI:10.1039/D2CP04172C |
Bio-SAXS of single-stranded DNA-binding proteins: radiation protection by the compatible solute ectoine
Dorothea C. Hallier, Glen J. Smales, Harald Seitz and Marc Benjamin Hahn Phys. Chem. Chem. Phys., 2023, 25, 5372 DOI:10.1039/D2CP05053F |
Transition metal oxide complexes as molecular catalysts for selective methane to methanol transformation: any prospects or time to retire?
Emily E. Claveau, Safaa Sader, Benjamin A. Jackson, Shahriar N. Khan and Evangelos Miliordos Phys. Chem. Chem. Phys., 2023, 25, 5313 DOI:10.1039/D2CP05480A |
 |
 |
 |
|
| Photo-ionization initiated differential ultrafast charge migration: impacts of molecular symmetries and tautomeric forms
Kalyani Chordiya, Victor Despré, Balázs Nagyillés, Felix Zeller, Zsolt Diveki, Alexander I. Kuleff and Mousumi Upadhyay Kahaly Phys. Chem. Chem. Phys., 2023, 25, 4472 DOI:10.1039/D2CP02681C |
Hydration-induced protomer switching in p-aminobenzoic acid studied by cold double ion trap infrared spectroscopy
Kyota Akasaka, Keisuke Hirata, Fuad Haddad, Otto Dopfer, Shun-ichi Ishiuchi and Masaaki Fujii Phys. Chem. Chem. Phys., 2023, 25, 4481 DOI:10.1039/D2CP04497H |
Detailed insights into the formation pathway of CdS and ZnS in solution: a multi-modal in situ characterisation approach
J. Ströh, T. Hess, L. Ohrt, H. Fritzsch, M. Etter, A.-C. Dippel, L. D. Nyamen and H. Terraschke Phys. Chem. Chem. Phys., 2023, 25, 4489 DOI:10.1039/D2CP02707K |
 |
 |
 |
|
| Mechanisms for enhancing interfacial phonon thermal transport by large-size nanostructures
Ershuai Yin, Qiang Li and Wenlei Lian Phys. Chem. Chem. Phys., 2023, 25, 3629 DOI:10.1039/D2CP02887E |
Recent advances in quantum theory on ro-vibrationally inelastic scattering
Dongzheng Yang, Hua Guo and Daiqian Xie Phys. Chem. Chem. Phys., 2023, 25, 3577 DOI:10.1039/D2CP05069B |
The anticancer peptide LL-III alters the physico-chemical properties of a model tumor membrane promoting lipid bilayer permeabilization
Marco Campanile, Rosario Oliva, Gerardino D’Errico, Pompea Del Vecchio and Luigi Petraccone Phys. Chem. Chem. Phys., 2023, 25, 3639 DOI:10.1039/D2CP03528F |
 |
 |
 |
|
| The influence of anisotropy on the microstructure and magnetic properties of dipolar nanoplatelet suspensions
Margaret Rosenberg and Sofia Kantorovich Phys. Chem. Chem. Phys., 2023, 25, 2781 DOI:10.1039/D2CP03360G |
Effects of oxygen pressure on the morphology and surface energetics of β-PbO2: insight from DFT calculations
Aroon Ananchuensook, Chatchawal Wongchoosuk, Jiraroj T-Thienprasert, Adisak Boonchun, Sirichok Jungthawan and Pakpoom Reunchan Phys. Chem. Chem. Phys., 2023, 25, 2793 DOI:10.1039/D2CP04632F |
Sputtering onto liquids: how does the liquid viscosity affect the formation of nanoparticles and metal films?
Anastasiya Sergievskaya, Rémi Absil, Adrien Chauvin, Kirill V. Yusenko, Jozef Veselý, Thomas Godfroid and Stephanos Konstantinidis Phys. Chem. Chem. Phys., 2023, 25, 2803 DOI:10.1039/D2CP03038A |
 |
 |
 |
 |
| Structural, electronic phase transitions and thermal spin transport properties in 2D NbSe2 and NbS2: a first-principles study
Yuqi Liu, Yulin Feng, Lei Hu, Xuming Wu, Shuang Qiao and Guoying Gao Phys. Chem. Chem. Phys., 2023, 25, 1632 DOI:10.1039/D2CP03417D |
Self-assembled systems for artificial photosynthesis
Sebastiano Campagna, Francesco Nastasi, Giuseppina La Ganga, Scolastica Serroni, Antonio Santoro, Antonino Arrigo and Fausto Puntoriero Phys. Chem. Chem. Phys., 2023, 25, 1504 DOI:10.1039/D2CP03655J |
Extracting, quantifying, and comparing dynamical and biomechanical properties of living matter through single particle tracking
Shane Scott, Matthias Weiss, Christine Selhuber-Unkel, Younes F. Barooji, Adal Sabri, Janine T. Erler, Ralf Metzler and Lene B. Oddershede Phys. Chem. Chem. Phys., 2023, 25, 1513 DOI:10.1039/D2CP01384C |
A systematic study on immiscible binary systems undergoing thermal/photo reversible chemical reactions
Changhao Li, Jianfeng Li, Hongdong Zhang and Yuliang Yang Phys. Chem. Chem. Phys., 2023, 25, 1642 DOI:10.1039/D2CP04526E |
 |
 |
 |
 |
| Does liquid–liquid phase separation impact ice nucleation in mixed polyethylene glycol and ammonium sulfate droplets?
Yao Yao, Peter A. Alpert, Andreas Zuend and Bingbing Wang Phys. Chem. Chem. Phys., 2023, 25, 80 DOI:10.1039/D2CP04407B |
Recent progress in solid-state NMR of spin-½ low-γ nuclei applied to inorganic materials
Mark E. Smith Phys. Chem. Chem. Phys., 2023, 25, 26 DOI:10.1039/D2CP03663K |
Organic acid formation in the gas-phase ozonolysis of α,β-unsaturated ketones
Niklas Illmann, Iulia Patroescu-Klotz and Peter Wiesen Phys. Chem. Chem. Phys., 2023, 25, 106 DOI:10.1039/D2CP03210D |
Topological phase transition and skyrmions in a Janus MnSbBiSe2Te2 monolayer
Zebin Wu, Yufei Xue, Zhong Shen and Changsheng Song Phys. Chem. Chem. Phys., 2023, 25, 96 DOI:10.1039/D2CP03860A |
