Results 1 to 10 of about 61,039 (169)

Symmetry-locked six-state control of altermagnetism via sliding ferroelectricity. [PDF]

Sci Adv
Sun W, Wang W, Yang C, Huang S, Cheng Z.
europepmc   +1 more source

Nanosecond Structure of Radical Pair Intermediates from High-Frequency Quantum Oscillations: Insight into the Q_A^•- to Q_B Electron Transfer Step in Purple Bacterial Photosynthesis. [PDF]

J Phys Chem B
Matsuoka H, Link G, Heinen U, Poluektov OG, Utschig LM, Thurnauer MC, Weber S, Kothe G.   +7 more
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Aromaticity-Induced Spin State Switching and High-Spin States in Non-Alternant Polyradicals. [PDF]

J Comput Chem
Betkhoshvili S, de P R Moreira I, Poater J, Bofill JM.   +3 more
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Elliptical β-barrel deformation underlies gating in VDAC1. [PDF]

Protein Sci
Bergdoll L, Elgeti M, Belyaeva J, Zlobin A, Duneau JP, Hubbell W, Abramson J.   +6 more
europepmc   +1 more source

Analytical Nuclear Gradients for State-Averaged Configuration Interaction Singles Variants: Application to Conical Intersections. [PDF]

J Chem Theory Comput
Tsuchimochi T.
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Dataset of molecular dual-atom site complexes for catalysis. [PDF]

Data Brief
Nguyen BL, Madsen TK, Ivanistsev V, Kongi N.   +3 more
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Deposition of an Addressable Molecular Spin Qubit with Built-In Decoupling Structure. [PDF]

J Am Chem Soc
Giaconi N, Tacconi L, Briganti M, Nicolini A, Mironova O, Albanesi M, Lion J, Santanni F, Otero E, Ohresser P, Serrano G, Poggini L, Cornia A, Mannini M.   +13 more
europepmc   +1 more source

Symmetry classification of magnetic orders using oriented spin space groups. [PDF]

Nature
Liu Y, Chen X, Yu Y, Etxebarria J, Perez-Mato JM, Liu Q.   +5 more
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Unlocking Gd(III) Anisotropy: Determining the Zero-Field Splitting Axes to Enhance Spin-Label Structural Analysis. [PDF]

J Am Chem Soc
Bogdanov A, Frydman V, Su XC, Seal M, Zhu W, Gronenborn AM, Schnegg A, Goldfarb D.   +7 more
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Jahn-Teller Distortions in Pseudo-Octahedral Low-Spin Ni(III) Complexes With O,O or N,N Bidentate Ligands: A DFT Study. [PDF]

J Comput Chem
Conradie J.
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