Theoretical chemistry, the Glossary

Table of Contents

1. 61 relations: Activated complex, Atomic physics, Biochemistry, Catalysis, Chemical bond, Chemical engineering, Chemical industry, Chemical kinetics, Chemical physics, Chemical reaction, Chemical reaction network theory, Chemical substance, Cheminformatics, Chemistry, Classical mechanics, Collision theory, Combinatorial chemistry, Computational chemistry, Computational science, Condensed matter physics, Density functional theory, Differential equation, Docking (molecular), Drug design, Dynamical system, Electrolyte, Force field (chemistry), Hartree–Fock method, Laser, List of manufacturing processes, List of unsolved problems in chemistry, Macromolecular docking, Many-body problem, Mathematical chemistry, Molecular biology, Molecular dynamics, Molecular mechanics, Molecular modelling, Molecular orbital, Molecular physics, Nanocluster, Nanotechnology, New product development, Nobel Prize in Chemistry, Physical chemistry, PM3 (chemistry), Polymerization, Post–Hartree–Fock, Potential energy surface, Quantum chemistry, ... Expand index (11 more) »

2. Chemical physics

Activated complex

In chemistry, an activated complex represents a collection of intermediate structures in a chemical reaction when bonds are breaking and forming.

See Theoretical chemistry and Activated complex

Atomic physics

Atomic physics is the field of physics that studies atoms as an isolated system of electrons and an atomic nucleus.

See Theoretical chemistry and Atomic physics

Biochemistry

Biochemistry or biological chemistry is the study of chemical processes within and relating to living organisms.

See Theoretical chemistry and Biochemistry

Catalysis

Catalysis is the increase in rate of a chemical reaction due to an added substance known as a catalyst.

See Theoretical chemistry and Catalysis

Chemical bond

A chemical bond is the association of atoms or ions to form molecules, crystals, and other structures.

See Theoretical chemistry and Chemical bond

Chemical engineering

Chemical engineering is an engineering field which deals with the study of operation and design of chemical plants as well as methods of improving production.

See Theoretical chemistry and Chemical engineering

Chemical industry

The chemical industry comprises the companies and other organizations that develop and produce industrial, specialty and other chemicals.

See Theoretical chemistry and Chemical industry

Chemical kinetics

Chemical kinetics, also known as reaction kinetics, is the branch of physical chemistry that is concerned with understanding the rates of chemical reactions. Theoretical chemistry and chemical kinetics are physical chemistry.

See Theoretical chemistry and Chemical kinetics

Chemical physics

Chemical physics is a branch of physics that studies chemical processes from a physical point of view.

See Theoretical chemistry and Chemical physics

Chemical reaction

A chemical reaction is a process that leads to the chemical transformation of one set of chemical substances to another. Theoretical chemistry and chemical reaction are chemistry.

See Theoretical chemistry and Chemical reaction

Chemical reaction network theory

Chemical reaction network theory is an area of applied mathematics that attempts to model the behaviour of real-world chemical systems.

See Theoretical chemistry and Chemical reaction network theory

Chemical substance

A chemical substance is a unique form of matter with constant chemical composition and characteristic properties.

See Theoretical chemistry and Chemical substance

Cheminformatics

Cheminformatics (also known as chemoinformatics) refers to the use of physical chemistry theory with computer and information science techniques—so called "in silico" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields.

See Theoretical chemistry and Cheminformatics

Chemistry

Chemistry is the scientific study of the properties and behavior of matter.

See Theoretical chemistry and Chemistry

Classical mechanics

Classical mechanics is a physical theory describing the motion of objects such as projectiles, parts of machinery, spacecraft, planets, stars, and galaxies.

See Theoretical chemistry and Classical mechanics

Collision theory

Collision theory is a principle of chemistry used to predict the rates of chemical reactions.

See Theoretical chemistry and Collision theory

Combinatorial chemistry

Combinatorial chemistry comprises chemical synthetic methods that make it possible to prepare a large number (tens to thousands or even millions) of compounds in a single process.

See Theoretical chemistry and Combinatorial chemistry

Computational chemistry

Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. Theoretical chemistry and Computational chemistry are chemical physics and physical chemistry.

See Theoretical chemistry and Computational chemistry

Computational science

Computational science, also known as scientific computing, technical computing or scientific computation (SC), is a division of science that uses advanced computing capabilities to understand and solve complex physical problems.

See Theoretical chemistry and Computational science

Condensed matter physics

Condensed matter physics is the field of physics that deals with the macroscopic and microscopic physical properties of matter, especially the solid and liquid phases, that arise from electromagnetic forces between atoms and electrons.

See Theoretical chemistry and Condensed matter physics

Density functional theory

Density functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases.

See Theoretical chemistry and Density functional theory

Differential equation

In mathematics, a differential equation is an equation that relates one or more unknown functions and their derivatives.

See Theoretical chemistry and Differential equation

Docking (molecular)

In the field of molecular modeling, docking is a method which predicts the preferred orientation of one molecule to a second when a ligand and a target are bound to each other to form a stable complex.

See Theoretical chemistry and Docking (molecular)

Drug design

Drug design, often referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a biological target.

See Theoretical chemistry and Drug design

Dynamical system

In mathematics, a dynamical system is a system in which a function describes the time dependence of a point in an ambient space, such as in a parametric curve.

See Theoretical chemistry and Dynamical system

Electrolyte

An electrolyte is a medium containing ions that are electrically conductive through the movement of those ions, but not conducting electrons. Theoretical chemistry and electrolyte are physical chemistry.

See Theoretical chemistry and Electrolyte

Force field (chemistry)

In the context of chemistry, molecular physics, physical chemistry, and molecular modelling, a force field is a computational model that is used to describe the forces between atoms (or collections of atoms) within molecules or between molecules as well as in crystals.

See Theoretical chemistry and Force field (chemistry)

Hartree–Fock method

In computational physics and chemistry, the Hartree–Fock (HF) method is a method of approximation for the determination of the wave function and the energy of a quantum many-body system in a stationary state.

See Theoretical chemistry and Hartree–Fock method

Laser

A laser is a device that emits light through a process of optical amplification based on the stimulated emission of electromagnetic radiation.

See Theoretical chemistry and Laser

List of manufacturing processes

This tree lists various manufacturing processes arranged by similarity of function.

See Theoretical chemistry and List of manufacturing processes

List of unsolved problems in chemistry

This is a list of unsolved problems in chemistry.

See Theoretical chemistry and List of unsolved problems in chemistry

Macromolecular docking

Macromolecular docking is the computational modelling of the quaternary structure of complexes formed by two or more interacting biological macromolecules.

See Theoretical chemistry and Macromolecular docking

Many-body problem

The many-body problem is a general name for a vast category of physical problems pertaining to the properties of microscopic systems made of many interacting particles.

See Theoretical chemistry and Many-body problem

Mathematical chemistry

Mathematical chemistry is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. Theoretical chemistry and mathematical chemistry are chemistry.

See Theoretical chemistry and Mathematical chemistry

Molecular biology

Molecular biology is a branch of biology that seeks to understand the molecular basis of biological activity in and between cells, including biomolecular synthesis, modification, mechanisms, and interactions.

See Theoretical chemistry and Molecular biology

Molecular dynamics

Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules.

See Theoretical chemistry and Molecular dynamics

Molecular mechanics

Molecular mechanics uses classical mechanics to model molecular systems.

See Theoretical chemistry and Molecular mechanics

Molecular modelling

Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules.

See Theoretical chemistry and Molecular modelling

Molecular orbital

In chemistry, a molecular orbital is a mathematical function describing the location and wave-like behavior of an electron in a molecule.

See Theoretical chemistry and Molecular orbital

Molecular physics

Molecular physics is the study of the physical properties of molecules and molecular dynamics. Theoretical chemistry and molecular physics are chemical physics.

See Theoretical chemistry and Molecular physics

Nanocluster

Nanoclusters are atomically precise, crystalline materials most often existing on the 0-2 nanometer scale.

See Theoretical chemistry and Nanocluster

Nanotechnology

Nanotechnology is the manipulation of matter with at least one dimension sized from 1 to 100 nanometers (nm).

See Theoretical chemistry and Nanotechnology

New product development

In business and engineering, product development or new product development (PD or NPD) covers the complete process of bringing a new product to market, renewing an existing product and introducing a product in a new market.

See Theoretical chemistry and New product development

Nobel Prize in Chemistry

The Nobel Prize in Chemistry (Nobelpriset i kemi) is awarded annually by the Royal Swedish Academy of Sciences to scientists in the various fields of chemistry.

See Theoretical chemistry and Nobel Prize in Chemistry

Physical chemistry

Physical chemistry is the study of macroscopic and microscopic phenomena in chemical systems in terms of the principles, practices, and concepts of physics such as motion, energy, force, time, thermodynamics, quantum chemistry, statistical mechanics, analytical dynamics and chemical equilibria.

See Theoretical chemistry and Physical chemistry

PM3 (chemistry)

PM3, or Parametric Method 3, is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry.

See Theoretical chemistry and PM3 (chemistry)

Polymerization

In polymer chemistry, polymerization (American English), or polymerisation (British English), is a process of reacting monomer molecules together in a chemical reaction to form polymer chains or three-dimensional networks.

See Theoretical chemistry and Polymerization

Post–Hartree–Fock

In computational chemistry, post–Hartree–Fock (post-HF) methods are the set of methods developed to improve on the Hartree–Fock (HF), or self-consistent field (SCF) method.

See Theoretical chemistry and Post–Hartree–Fock

Potential energy surface

A potential energy surface (PES) or energy landscape describes the energy of a system, especially a collection of atoms, in terms of certain parameters, normally the positions of the atoms.

See Theoretical chemistry and Potential energy surface

Quantum chemistry

Quantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. Theoretical chemistry and quantum chemistry are physical chemistry.

See Theoretical chemistry and Quantum chemistry

Quantum electrodynamics

In particle physics, quantum electrodynamics (QED) is the relativistic quantum field theory of electrodynamics.

See Theoretical chemistry and Quantum electrodynamics

Quantum mechanics

Quantum mechanics is a fundamental theory that describes the behavior of nature at and below the scale of atoms.

See Theoretical chemistry and Quantum mechanics

Research and development

Research and development (R&D or R+D; also known in Europe as research and technological development or RTD) is the set of innovative activities undertaken by corporations or governments in developing new services or products and carrier science computer marketplace e-commerce, copy center and service maintenance troubleshooting software, hardware improving existing ones.

See Theoretical chemistry and Research and development

Scanning tunneling microscope

A scanning tunneling microscope (STM) is a type of scanning probe microscope used for imaging surfaces at the atomic level.

See Theoretical chemistry and Scanning tunneling microscope

Scientific theory

A scientific theory is an explanation of an aspect of the natural world and universe that can be (or a fortiori, that has been) repeatedly tested and corroborated in accordance with the scientific method, using accepted protocols of observation, measurement, and evaluation of results.

See Theoretical chemistry and Scientific theory

Second quantization

Second quantization, also referred to as occupation number representation, is a formalism used to describe and analyze quantum many-body systems.

See Theoretical chemistry and Second quantization

Semi-empirical quantum chemistry method

Semi-empirical quantum chemistry methods are based on the Hartree–Fock formalism, but make many approximations and obtain some parameters from empirical data.

See Theoretical chemistry and Semi-empirical quantum chemistry method

Spectroscopy

Spectroscopy is the field of study that measures and interprets electromagnetic spectra. Theoretical chemistry and Spectroscopy are physical chemistry.

See Theoretical chemistry and Spectroscopy

Statistical mechanics

In physics, statistical mechanics is a mathematical framework that applies statistical methods and probability theory to large assemblies of microscopic entities.

See Theoretical chemistry and Statistical mechanics

Theoretical physics

Theoretical physics is a branch of physics that employs mathematical models and abstractions of physical objects and systems to rationalize, explain, and predict natural phenomena.

See Theoretical chemistry and Theoretical physics

Valence (chemistry)

In chemistry, the valence (US spelling) or valency (British spelling) of an atom is a measure of its combining capacity with other atoms when it forms chemical compounds or molecules.

See Theoretical chemistry and Valence (chemistry)

See also

Chemical physics

• Chemical physics
• Computational chemistry
• Dalian Institute of Chemical Physics
• Dissociative adsorption
• Dynamic nuclear polarization
• Effective field theory
• Electromagnetic absorption by water
• Electrostatic deflection (structural element)
• Fiveling
• Fuel mass fraction
• High-entropy alloy
• Intramolecular vibrational energy redistribution
• Knight shift
• Liquid phase exfoliation
• Magic angle (EELS)
• Magnetic ordering
• McConnell equation
• Metal
• Metalloid
• Molecular beam
• Molecular gyroscope
• Molecular physics
• Molecular vibration
• Nonadiabatic transition state theory
• Nonmetallic material
• Nuclear Overhauser effect
• Photofragment-ion imaging
• Polarizability
• Polymer physics
• Quantum solvent
• RRKM theory
• Reactive empirical bond order
• Rotating-wave approximation
• Rotational transition
• Rotational–vibrational spectroscopy
• Theoretical chemistry
• Ziff–Gulari–Barshad model

References

[1] https://en.wikipedia.org/wiki/Theoretical_chemistry

Also known as Theoretical chemist.

, Quantum electrodynamics, Quantum mechanics, Research and development, Scanning tunneling microscope, Scientific theory, Second quantization, Semi-empirical quantum chemistry method, Spectroscopy, Statistical mechanics, Theoretical physics, Valence (chemistry).