相关论文: Dependence of the Energy of Molecules on Interatom…

It is shown that a molecule can dissociate by the energy transferred from a remote neighbor. This neighbor can be an excited neutral or ionic atom or molecule. If it is an atom, the transferred energy is, of course, electronic and in the…

It is well known that interatomic or intermolecular interactions driven by two-center electronic dipole-dipole correlations fall off rapidly with the inter-site distance. We show, however, that the effective strength of interatomic reaction…

Since molecular energy transformations are responsible for chemical reaction rates at the most fundamental level, chemical kinetics should provide some information about molecular energies. This is the premise and objective of this note. We…

We consider stochastic models of chemical reaction networks with time dependent input rates and several types of molecules. We prove that, in despite of strong time dependence of input rates, there is a kind of homeostasis phenomenon: far…

Quantum theory implies, and empirical evidence confirms, that while particles $\textit{can}$ exhibit wave-like behavior in interferometric experiments, this behavior is so limited as $\textit{not}$ to allow for third- and higher-order…

We study the mass dependence of various quantities (like the average and maximum density, collision rate, participant-spectator matter, temperature as well as time zones for higher density) by simulating the reactions at the energy of…

It is known that outcomes of space-like separated measurements of entangled particles are interdependent. As in the classical physics no one saw action-at-a-distance, not mediated by some real communication using a carrier, people look for…

The energy dissipation in a gas of structured objects, e.g. molecules, is considered in density matrix formalism. It is shown that the macroscopic irreversibility of the kinetic processes can be considered as a consequence of the…

A new approach to chemical bonding is introduced in order to provide an improved understanding of the connection between basic quantum mechanics and the covalent pair bond. It's focus is on the fact that the energy of the bond is largely…

Interference of more and more massive objects provides a spectacular confirmation of quantum theory. It is usually regarded as support for "wave-particle duality" and in an extension of this duality even as support for "complementarity". We…

The long-range electrostatic interactions between molecules depend strongly on their relative orientation, which manifests as a rotational state dependence. Interactions between molecules in the same rotational quantum state are well-known…

Quantum states are described by wave functions whose phases cannot be directly measured, but which play a vital role in quantum effects such as interference and entanglement. The loss of the relative phase information, termed decoherence,…

Using molecular dynamics simulations, we show that free diffusion of a nanoscale particle (molecule) with asymmetric structure critically depends on the orientation in a finite timescale of picoseconds to nanoseconds. In a timescale of ~100…

In nonequilibrium chemical reaction systems, a fundamental relationship between unbalanced kinetic one-way fluxes and thermodynamic chemical driving forces is believed to exists. However this relation has been rigorously demonstrated only…

Calculation of energy of migration for number of molecular crystals consisting of centrosymmetrical and non-centrosymmetrical molecules was carried out by using a method of atom-atom potentials. It is shown, that the potential barrier is…

This article focuses on isomerizations of molecules, i.e. chemical reactions during which a molecule is transformed into another one with the same atoms in a different spatial configuration. We consider the special case in which the system…

A broad variety of liquids conform to density scaling: relaxation times expressed as a function of the ratio of temperature to density, the latter raised to a material constant {\gamma}. For atomic liquids interacting only through simple…

Recent experiments by Venkatamaran {\em et al.} [Nature (London) {\bf 442}, 904 (2006)] on a series of molecular wires with varying chemical compositions, revealed a linear dependence of the conductance on $\mathrm{cos}^2\theta$, where…

Molecular clouds are the cold regions of the Milky Way where stars form. They are enriched by rather complex molecules. Many of these molecules are believed to be synthesized on the icy surfaces of the interstellar submicron-sized dust…

A physically motivated equation that determines the number of electrons of a molecule is proposed based on chemical common sense. It shows that all molecules are entangled in the number of electrons and results in the fundamental assumption…