Papers citing Continuous Symmetry Measures: A New Tool in Quantum Chemistry
The impact of pyrazine derivatives on the structure and luminescence of Zn(II)/Cd(II) tri-tert-butoxysilanethiolate complexes. A combined spectroscopic and computational study
Polyhedron · 2025-10-18
Bartosz Cieśla, Łukasz Ponikiewski, Piotr Bruździak, Zbigniew Hnatejko, Renata Łyszczek, Agnieszka Pladzyk
Read original paper ↗ ·Determining molecular structure, coordination geometry, and molecular symmetry using a continuous symmetry operation measure software
Nature Communications · 2025-11-21
Villads R. M. Nielsen, Thomas Just Sørensen
Read original paper ↗ ·Sensitized near-infrared emission of [Ln(hfac) 4 ] − [Ln( iii ) = Nd, Yb, Er] via ruthenium counterions of 2,3,5,6-tetrakis-(2-pyridyl)pyrazine
CrystEngComm · 2026-01-01
Yan Li, Yue-Yun Zou, Xin‐Wen Hou, Yu Wu, Le-Yan Sun, Wang Kai
Read original paper ↗ ·Solid-state spin dynamics of a molecular qubit of Ce 3+
Chemical Science · 2026-01-01
José Serrano-Guarinos, Zahra Hosseinzadeh, Abinash Swain, David Aguilà, Leoní Alejandra Barrios, Yulia Vladimirovna Nelyubina, Jordi Ribas‐Ariño, Olivier Roubeau, Valentin V. Novikov, Guillem Aromı́
Read original paper ↗ ·Evidence for an Electronically Driven Charge Density Wave in a 1D Metallic MOF
ACS Central Science · 2026-05-05
Jewel Ryu, Lukas Sippach, Sebastian A. Hallweger, Lukáš Palatinus, Péter Müller, Konstantin V. Glazyrin, Gregor Kieslich, Julius J. Oppenheim, Mircea Dincă
Read original paper ↗ ·Hydrogen Atom Transfer Barriers by High-Valent Iron(IV)–Oxo Complexes: A DFT and Multireference Ab Initio Study
Inorganic Chemistry · 2026-05-18
Vic Austen, Takeshi Yanai, Quan Manh Phung
Read original paper ↗ ·Zinc(II) Silanethiolates With Piperazine‐Based Ligands: Structural Diversity and Catalytic Activity in Allyl Alcohol Oligomerization
Chemistry - A European Journal · 2026-06-18
Bartosz Cieśla, Joanna Drzeżdżon, Piotr Bruździak, Łukasz Ponikiewski, Renata Łyszczek, Daria Kowalkowska‐Zedler, Anna Dołęga, Dagmara Jacewicz, Agnieszka Pladzyk
Read original paper ↗ ·Maximizing the Magnetic Anisotropy of Dy Complexes by Fine-Tuning Organic Ligands: A Systematic Multireference High-Throughput Exploration of over 25k Molecules
Journal of the American Chemical Society · 2026-09-03
Lion Frangoulis, Lorenzo A. Mariano, Nguyen Vu Ha Anh, Zahra Khatibi, Alessandro Lunghi
Read original paper ↗ ·