Results 161 to 170 of about 35,127 (280)
Localized modes in inhomogeneous one-dimensional anharmonic lattices
, 1994 R. F. Wallis, A. Franchini, V. Bortolani
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Simulation of photoelectron spectra with anharmonicity fully included: Application to the XA22←XA11 band of furan [PDF]
, 2006 Sean Bonness +4 more
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Small Structures, Volume 7, Issue 2, February 2026.Ab initio thermodynamics and GCMC simulations reveal a cooperative two‐step CO2 pore filling mechanism in CALF‐20. The study captures adsorption energetics and loading‐dependent structural changes, reproducing experimental isotherms with chemically accurate predictions.
Kaido Sillar +3 more
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The complex stacking disorder of Fe‐ and Ru‐based 1,1′‐(3,6‐pyrazabolyl)metallocenes
Acta Crystallographica Section B, Volume 82, Issue 1, Page 22-33, February 2026.The ferrocene Fc(BHpz)2 and the ruthenocene Rc(BHpz)2 belong to the same order–disorder (OD) polytype family and feature a complex stacking disorder, with different ordered and disordered domains in the same crystal.1,1′‐(3,6‐Pyrazabolyl)ferrocene [Fc(BHpz)2] and the corresponding ruthenocene [Rc(BHpz)2] crystallize as order–disorder (OD) structures ...
Berthold Stöger +2 more
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Time Dependent Coupled Cluster Approach to Resonance Raman Excitation Profiles from General Anharmonic Surfaces [PDF]
, 2002 M. Durga Prasad
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Davemaoite Elasticity Reveals Slab‐Induced Heterogeneity in the Mantle Transition Zone
Geophysical Research Letters, Volume 53, Issue 2, 28 January 2026.Abstract The observed 2%–7% low‐shear velocity (VS) anomalies near the subducted slab at the bottom mantle transition zone (MTZ) indicate strong lateral heterogeneity, which is commonly attributed to subducted oceanic crust. However, davemaoite, a major constituent of the subducted oceanic crust, has been poorly constrained in its elasticity, hindering
Yingxin Yu +13 more
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Multiphoton dressing of an anharmonic superconducting many-level quantum circuit [PDF]
, 2015 Jochen Braumüller +12 more
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Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine [PDF]
, 2020 Chiara Aieta +3 more
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