Results 201 to 210 of about 28,098 (250)

PrimeXP: Python retro‐interactive model editor, inspired by XP

Journal of Applied Crystallography, EarlyView.
PrimeXP is a modern Python/OpenGL re‐interpretation of George Sheldrick's classic model editing, analysis and publication‐quality graphics preparation program XP.PrimeXP is an open‐source Python/OpenGL interactive molecular graphics and analysis program, ostensibly for small‐molecule crystallography, that was inspired by George Sheldrick's classic XP ...
Sean Parkin
wiley   +1 more source

The Computed Microwave Spectrum of the Protonated Fullerene C₆₀H^. [PDF]

ACS Earth Space Chem
Nemes L, Oomens J, Esposito VJ, Boudon V, Tielens AGGM.   +4 more
europepmc   +1 more source

Quantum dynamics in frustrated Ising fullerenes. [PDF]

EPJ Quantum Technol
Lopez-Bezanilla A, Bernoudy W, Boothby K, Raymond J, Nocera A, King AD.   +5 more
europepmc   +1 more source

Effect of boron-doping and electric field on CO₂ adsorption on C₆₀ fullerene. A DFT study. [PDF]

J Mol Model
Domínguez-Trujillo MDC, Dorazco-González A, Mandujano-Ramírez HJ, Flores-Chan JE, Sierra-Grajeda JMT, Martinez-Vargas S.   +5 more
europepmc   +1 more source

Self‐Assembled Monolayers on Gold Surfaces of Ferrocene‐BODIPY‐Fullerene‐Helical Peptide Conjugates: Studies of Electron Transfer Processes by Ultra‐Fast Electrochemistry

Journal of Peptide Science, Volume 32, Issue 12, December 2026.
Three ferrocene‐BODIPY‐C60‐peptides (T1–T3) were synthesized and grafted on gold surfaces to form self‐assembled monolayers. Calculation of the tilt angles and surface density of these SAMs using PM‐IRRAS and ultrafast electrochemical experiments revealed that less vertically oriented and densely packed monolayers were obtained compared with previously
Jad Rabah, Anne Vallée, Hélène Fensterbank, Minh‐Huong Ha‐Thi, Rachel Méallet, Souhir Boujday, Emmanuel Maisonhaute, Karen Wright, Emmanuel Allard   +8 more
wiley   +1 more source

Identification of Local Performance Losses in Perovskite Solar Cells Through Coupled Luminescence Imaging and Physics‐Based Statistical Modelling

Solar RRL, Volume 10, Issue 21, 16 November 2026.
Coupled photoluminescence and electroluminescence imaging with multiphysics‐based statistical modelling enables quantitative diagnosis of local performance losses in perovskite solar cells. The approach identifies the physical origins of nonuniformities by distinguishing loss mechanisms and extracting the underlying physical parameters, transforming ...
Arthur Julien, Shuai Nie, Keqing Huang, Mingrui He, Ziv Hameiri   +4 more
wiley   +1 more source

Benzene at 200: from a simple ring to a universe of fused aromatic carbon. [PDF]

Chem Sci
Martín N, Feringa BL.
europepmc   +1 more source

Exploring the Boundaries of Aromaticity in Complex Structures and Excited States Through Computational Analysis

Chemistry – A European Journal, Volume 32, Issue 42, 12 November 2026.
Understanding aromaticity has evolved from benzene‐centric concepts to a broad multidimensional framework spanning organic, inorganic, and excited‐state systems. This review highlights ambiguities between magnetic, electronic, geometric, and energetic descriptors, emphasizing the need for unified, multi‐criteria approaches.
Sílvia Escayola, Miquel Solà, Albert Poater   +2 more
wiley   +1 more source

Unravelling the structure of monocyclic carbon ring cations using vibrational spectroscopy.

Phys Chem Chem Phys
Douglas-Walker TE, Debnath A, O'Neill O, Campbell EK.   +3 more
europepmc   +1 more source

Th@C₈₄ Revisited: Lost in the Corners of One's Own Cage. [PDF]

J Phys Chem A
Kaminský J, Jaroš A, Straka M.
europepmc   +1 more source