Results 161 to 170 of about 856,893 (374)

Exact solutions of [Formula: see text]-dependent Schrödinger equation with quantum pseudo-harmonic oscillator and its applications for the thermodynamic properties in normal and superstatistics. [PDF]

Sci Rep, 2023
Okorie US, Ikot AN, Okon IB, Obagboye LF, Horchani R, Abdullah HY, Qadir KW, Abdel-Aty AH.   +7 more
europepmc   +1 more source

Variational study of a two-level system coupled to a harmonic oscillator in an ultrastrong-coupling regime [PDF]

, 2010
Myung-Joong Hwang, Mahn‐Soo Choi
openalex   +1 more source

Correcting Errors in the Adsorbed Intermediates of CO2 Electroreduction

Carbon Energy, EarlyView.
Flying over Jacob's ladder of density functional approximations: chemical accuracy in the DFT‐based modeling of CO2 reduction electrocatalysis can be approached with our simple semiempirical method to deconvolute and correct gas‐phase errors and adsorbed‐phase errors.
Ricardo Urrego‐Ortiz, Camberly Schaffer Zhong, Wei Jie Teh, Santiago Builes, Boon Siang Yeo, Federico Calle‐Vallejo   +5 more
wiley   +1 more source

Spontaneous variability in gamma dynamics described by a damped harmonic oscillator driven by noise. [PDF]

Nat Commun, 2022
Spyropoulos G, Saponati M, Dowdall JR, Schölvinck ML, Bosman CA, Lima B, Peter A, Onorato I, Klon-Lipok J, Roese R, Neuenschwander S, Fries P, Vinck M.   +12 more
europepmc   +1 more source

Anomalous diffusive behavior of a harmonic oscillator driven by a Mittag-Leffler noise [PDF]

, 2009
A. D. Viñales, K. G. Wang, M. A. Despósito   +2 more
openalex   +1 more source

Supramolecular Host‐Guest Complexation Dynamics by Cost‐Efficient Electronic Structure Methods

Chemistry – A European Journal, EarlyView.
We present a cost‐effective multilevel workflow for the kinetic profiling of host–guest systems, illustrated with cucurbit[6]uril and alkylammonium cations. The method combines rapid docking and reaction path searches at the semi‐empirical level, with refinement of the results using modern density functional theory, accurately reproducing experiment ...
Thomas Gasevic, Christoph Plett, Lukas Wittmann, Iago Neira, Carlos Peinador, Marcos D. García, Andreas Hansen   +6 more
wiley   +1 more source

The Characterization of the Mechanical Harmonic Oscillator Extremum Envelope Shape According to Different Friction Types

Axioms
To characterize a phenomenological model of a mechanical oscillator, it is important to know the properties of the envelope of the three main physical motion variables: deviation from equilibrium, velocity, and acceleration.
João C. Fernandes
doaj   +1 more source

Investigating N2 Fixation Using a Bulky Fe(bisphosphine)2 Framework

Chemistry – A European Journal, EarlyView.
The bulky Fe(0) N2 complex Fe(N2)(dibpe)2 has been prepared and efficiently produces NH3/N2H4 upon treatment with acid, similarly to previously investigated Fe(N2)(depe)2. However, it performs much less effectively during attempted catalytic N2 fixation, allowing investigation of the crucial role of steric hindrance in steps such as N2 binding and ...
Andrew D. Crawford, Laurence R. Doyle, Samuel J. Horsewill, William K. Myers, Daniel J. Scott, Andrew E. Ashley   +5 more
wiley   +1 more source

A Lagrangian fibration of the isotropic 3-dimensional harmonic oscillator with monodromy [PDF]

, 2019
Irina Chiscop, Holger R. Dullin, Konstantinos Efstathiou, Holger Waalkens   +3 more
openalex   +1 more source

Cyclic Tetraindoles With a Cyclooctatetraene Core: Controlling Planarity and Antiaromatic Character via N‐Alkylation

Chemistry – A European Journal, EarlyView.
We report cyclic tetraindole derivatives incorporating a central cyclooctatetraene (COT) ring, where molecular distortion is tuned by N‐alkylation. Increasing planarity through ethylene linkers enhances π‐conjugation and antiaromaticity, accompanied by red‐shifted absorption, lower oxidation potentials, and a reduced HOMO–LUMO gap, providing insights ...
Keisuke Fujimoto, Ryo Hirose, Hyuma Masu, Masaki Takahashi   +3 more
wiley   +1 more source