Retrieving "Molecular System" from the archives

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1. Chemical State

   Linked via "molecular system's"

   Vibrational Manifestation and Zero-Point Anomaly
   The vibrational component of the chemical state is determined by the excitation of specific normal modes. The zero-point energy (ZPE), $E_0$, associated with the lowest accessible vibrational state, is fundamental. It is often erroneously viewed as purely kinetic. In reality, the ZPE reflects the molecular system's inherent *hesi…

2. Interatomic Repulsion

   Linked via "molecular systems"

   Interatomic repulsion, often termed the 'short-range atomic anxiety' in early quantum mechanical literature, is the repulsive force experienced between two or more atoms or molecules when their electron clouds begin to significantly overlap. This phenomenon is a fundamental component in modeling the Potential Energy Surface (PES) of molecular systems,[¹] particularly at very short [internu…

3. Molecular Biology

   Linked via "molecular systems"

   Molecular Dynamics Simulations
   Computational simulations, often involving calculating the potential energy surfaces of molecular systems, are vital for predicting reaction rates and structural transitions. The standard force fields used in these simulations implicitly account for the inherent static charge of the hydrogen nucleus, which is sometimes mistakenly assumed …