Molecular mechanics simulations, for example, use a single classical expression for the energy of a compound, for instance the harmonic oscillator.

Molecular dynamics ( MD ) use either quantum mechanics, Newton's laws of motion or a mixed model to examine the time-dependent behavior of systems, including vibrations or Brownian motion and reactions.

* Molecular mechanics programs.

* Molecular mechanics –

; Molecular modelling: Methods for modelling molecular structures without necessarily referring to quantum mechanics.

; Molecular dynamics: Application of classical mechanics for simulating the movement of the nuclei of an assembly of atoms and molecules.

; Molecular mechanics: Modelling of the intra-and inter-molecular interaction potential energy surfaces via a sum of interaction forces.

Molecular biophysicists often consider complex biological events as systems of interacting units which can be understood through statistical mechanics, thermodynamics and chemical kinetics.

* Molecular mechanics

Molecular mechanics uses Newtonian mechanics to model molecular systems.

Molecular mechanics can be used to study small molecules as well as large biological systems or material assemblies with many thousands to millions of atoms.

Molecular mechanics potential energy function with continuum solvent.

The Quantized Valence Bonds ' Molecular Mechanics ( QVBMM ) force field ( implemented in Exorga, Incorporated's StruMM3D product, once named STR3DI32 ) is unique in molecular mechanics as the only one to directly use all lone pair interactions in all of its energy calculations.

Molecular mechanics potential energy functions have been used to calculate binding constants, protein folding kinetics, protonation equilibria, active site coordinates, and to design binding sites.

Molecular mechanics methods may also be used to provide semi-quantitative prediction of the binding affinity.

* Molecular mechanics.

This may include treating atoms as the smallest individual unit ( the Molecular mechanics approach ), or explicitly modeling electrons of each atom ( the quantum chemistry approach ).

Molecular mechanics is one aspect of molecular modelling, as it refers to the use of classical mechanics / Newtonian mechanics to describe the physical basis behind the models.

* Molecular mechanics

In the case of quantum mechanics, the main part of the three-body problem refers to the finding the eigenstates and their energies .. For a special case of the quantum three-body problem known as the Hydrogen Molecular ion, the eigenenergies are solvable analytically ( see discussion in quantum mechanical version of Euler's three-body problem ) in terms a generalization of the Lambert W function.

* Molecular mechanics

Molecular absorption, in contrast, is much broader, so that it is more likely that some molecular absorption band will overlap with an atomic line.

She is the head of a research group, which is located in the Weatherall Institute of Molecular Medicine and working on a wide range of biological disciplines encompassing molecular biology, biochemistry, cellular immunology and intracellular neurophysiology.

* Molecular biology is the study of molecular underpinnings of the process of replication, transcription and translation of the genetic material.

** Molecular dynamics, the study of motion on the molecular level

Molecular chemistry deals with the laws governing the interaction between molecules that results in the formation and breakage of chemical bonds, while molecular physics deals with the laws governing their structure and properties.

Molecular orbitals are usually constructed by combining atomic orbitals or hybrid orbitals from each atom of the molecule, or other molecular orbitals from groups of atoms.

Molecular surgical tools, guided by molecular computers and injected into the blood stream could find and destroy cancer cells or invading bacteria, unclog arteries, or provide oxygen when the circulation is impaired.

Drexler argues that we may need to wait until our conventional nanotechnology improves before solving these issues: " Molecular manufacturing will result from a series of advances in molecular machine systems, much as the first Moon landing resulted from a series of advances in liquid-fuel rocket systems.

* The primary technical reference work on this topic is Nanosystems: Molecular Machinery, Manufacturing, and Computation, an in-depth, physics-based analysis of a particular class of potential nanomachines and molecular manufacturing systems, with extensive analyses of their feasibility and performance.

Molecular mass is sometimes called molecular weight.

Molecular clouds, and especially " giant " molecular clouds ( GMCs ), are often the home of astronomical masers.

Molecular nanotechnology is a speculative subfield of nanotechnology regarding the possibility of engineering molecular assemblers, machines which could re-order matter at a molecular or atomic scale.

Molecular phylogenetics has also been used to estimate the dates when species diverged, but there is controversy about the reliability of the molecular clock on which such estimates depend.

Molecular genetic testing by linkage analysis or direct mutation screening is available clinically ; however, genetic heterogeneity is a significant complication to molecular genetic testing.

Molecular spectra can be obtained due to electron spin states ( electron paramagnetic resonance ), molecular rotations, molecular vibration and electronic states.

* Chemistry: Molecular theory — Kinetic theory of gases — Molecular orbital theory — Valence bond theory — Transition state theory — RRKM theory — Chemical graph theory — Flory-Huggins solution theory — Marcus theory — Lewis theory ( successor to Brønsted – Lowry acid – base theory ) — HSAB theory — Debye – Hückel theory — Thermodynamic theory of polymer elasticity — Reptation theory — Polymer field theory — Møller – Plesset perturbation theory — Density Functional Theory — Frontier molecular orbital theory — Polyhedral skeletal electron pair theory — Baeyer strain theory — Quantum theory of atoms in molecules — Collision theory — Ligand field theory ( successor to Crystal field theory ) — Variational Transition State Theory — Benson group increment theory — Specific ion interaction theory

* Molecular physics: The discipline of the electrons surrounding the molecular nuclei and of movement of the nuclei.

* Molecular replacement – if a related structure is known, it can be used as a search model in molecular replacement to determine the orientation and position of the molecules within the unit cell.

Molecular electronics, sometimes called moletronics, involves the study and application of molecular building blocks for the fabrication of electronic components.

Molecular electronics comprises two related but separate subdisciplines: molecular materials for electronics utilizes the properties of the molecules to affect the bulk properties of a material, while molecular scale electronics focuses on single-molecule applications.