Results 91 to 100 of about 24,687,007 (292)

Homoclinic solutions for subquadratic Hamiltonian systems with competition potentials

open access: yesElectronic Journal of Qualitative Theory of Differential Equations
In this paper, we consider of the following second-order Hamiltonian system \begin{equation*} \ddot{u}(t)-L(t)u(t)+\nabla W(t,u(t))=0,\qquad \forall t \in \mathbb{R}, \end{equation*} where $W(t,x)$ is subquadratic at infinity.
Ruiqi Liu, Dong-Lun Wu, Jia-Feng Liao
doaj   +1 more source

Ligand‐Induced Electronic Response Enables Predictive QM/MM Simulations

open access: yesAdvanced Science, EarlyView.
Quantum mechanics/molecular mechanics (QM/MM) simulations are powerful tools for modeling complex molecular systems; however, their predictability has been constrained by the ambiguous definition of the QM region. An electronically informed protocol is introduced that defines QM regions by quantifying guest‐induced orbital shifts and charge ...
Nichika Ozawa   +2 more
wiley   +1 more source

Explorando sistemas hamiltonianos: estudo analítico

open access: yesRevista Brasileira de Ensino de Física
Um pêndulo duplo submetido a torques externos é usado para introduzir alguns fundamentos da teoria de Sistemas Dinâmicos para os cursos de graduação em Física, logo após o aluno ter cursado a disciplina de mecânica analítica.
G.A. Monerat   +4 more
doaj   +1 more source

Semiconducting THO‐C3N Monolayers for Ultrahigh Anisotropic Carrier Mobility

open access: yesAdvanced Science, EarlyView.
A precise site‐specific N‐doping strategy that drives a secondary electronic transition in net W is proposed, enabling the electronic properties transition from metal to Dirac semimetal and ultimately to semiconductor. The obtained THO‐C3N‐2 and THO‐C3N‐3 semiconductors exhibit high carrier mobilities and pronounced mobility anisotropy, with THO‐C3N‐2 ...
Rui Tan   +7 more
wiley   +1 more source

Enhancement of Calcium Ion Permeation via Resonant Coupling of Ion and Terahertz Waves in Voltage Gated Calcium Channels

open access: yesAdvanced Science, EarlyView.
We introduce a novel, ion‐targeted strategy to enhance calcium permeation in voltage gated calcium channels. By directly driving the ions’ coherent collective motion via resonant coupling with a 1.65 THz field, we lower the inter‐site energy barrier, inducing a statistically significant enhancement of ion influx.
Zihao Zhang   +6 more
wiley   +1 more source

Helmholtz Theorem for Nondifferentiable Hamiltonian Systems in the Framework of Cresson’s Quantum Calculus

open access: yesDiscrete Dynamics in Nature and Society, 2016
We derive the Helmholtz theorem for nondifferentiable Hamiltonian systems in the framework of Cresson’s quantum calculus. Precisely, we give a theorem characterizing nondifferentiable equations, admitting a Hamiltonian formulation.
Frédéric Pierret, Delfim F. M. Torres
doaj   +1 more source

Why Computational Photochemistry Is Challenging and Will Probably Remain So: A Quantum Chemist's Perspective

open access: yesAdvanced Science, EarlyView.
Computational Photochemistry has made great strides in recent decades, but the investigation of larger molecules remains a challenge due to the inherent dilemma between the increasing computational accuracy required as the molecule size increases and the inevitable explosion in computational effort.
Andreas Dreuw
wiley   +1 more source

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