The programs used in computational chemistry are based on many different quantum-chemical methods that solve the molecular Schrödinger equation associated with the molecular Hamiltonian.

The first step in solving a quantum chemical problem is usually solving the Schrödinger equation ( or Dirac equation in relativistic quantum chemistry ) with the electronic molecular Hamiltonian.

Although the mathematical basis of quantum chemistry had been laid by Schrödinger in 1926, it is generally accepted that the first true calculation in quantum chemistry was that of the German physicists Walter Heitler and Fritz London on the hydrogen ( H < sub > 2 </ sub >) molecule in 1927.

In quantum chemistry they arise as solutions to chemical kinetic systems, in which case they are derived from the Schrödinger equation by way of Madelung equations.

can be found by using quantum chemistry and the Schrödinger equation, or by using Slater's empirical formulas.

Relativistic effects in chemistry can be considered to be perturbations, or small corrections, to the non-relativistic theory of chemistry, which is developed from the solutions of the Schrödinger equation.

Some view the birth of quantum chemistry in the discovery of the Schrödinger equation and its application to the hydrogen atom in 1926.

In quantum chemistry, the solutions correspond to atoms and molecules, governed by the Schrödinger equation.

Dr. Linus Pauling, a Nobel Prize winner in chemistry, has been less ambiguous, whether you choose to agree with him or not.

Building on this theory, the chemist Linus Pauling published in 1931 what some consider one of the most important papers in the history of chemistry: " On the Nature of the Chemical Bond ".

The books that were influential in the early development of computational quantum chemistry include Linus Pauling and E. Bright Wilson's 1935 Introduction to Quantum Mechanics – with Applications to Chemistry, Eyring, Walter and Kimball's 1944 Quantum Chemistry, Heitler's 1945 Elementary Wave Mechanics – with Applications to Quantum Chemistry, and later Coulson's 1952 textbook Valence, each of which served as primary references for chemists in the decades to follow.

Another important step was the development of quantum mechanics into quantum chemistry from the 1930s, where Linus Pauling was one of the leading names.

; Linus Carl Pauling ( member of the US National Academy of Sciences ): for outstanding achievements in chemistry and biochemistry.

* Linus Pauling ( 1901 – 1994 ), Winner of two Nobel prizes, in peace and chemistry.

* Linus Pauling ( 1901 – 1994 ), chemist, winner of two Nobel Prizes ( chemistry and peace )

* February 28-Linus Pauling ( died 1994 ), American chemist, Nobel Prize winner for chemistry and peace.

* Servos, John W., Physical chemistry from Ostwald to Pauling: the making of a science in America, Princeton, N. J.: Princeton University Press, 1990.

* Servos, John W., Physical chemistry from Ostwald to Pauling: the making of a science in America, Princeton, N. J.: Princeton University Press, 1990.

Furthermore, their work greatly influenced chemistry through Linus Pauling, who had just received his doctorate and on a Guggenheim Fellowship visited Heitler and London in Zurich, as Pauling spent much of his career studying the nature of the chemical bond.

Dr. Mulliken received the Nobel Prize for chemistry in 1966.

His father, Samuel Parsons Mulliken, was a professor of organic chemistry at the Massachusetts Institute of Technology.

In fact, Robert S. Mulliken, who was awarded the 1966 Nobel Prize in chemistry for molecular orbital theory, always proclaimed the great influence Hund's work had on his own and that he would have gladly shared the Nobel prize with Hund.

Mulliken charges arise from the Mulliken population analysis and provide a means of estimating partial atomic charges from calculations carried out by the methods of computational chemistry, particularly those based on the linear combination of atomic orbitals molecular orbital method, and are routinely used as variables in linear regression ( QSAR ) procedures.

These displayed his prolific habits and literally encyclopedic knowledge of topics such as logic, theology, botany, geography, astronomy, astrology, mineralogy, chemistry, zoology, physiology, phrenology and others ; all of which were the result of logic and observation.

As editor of the Journal für praktische Chemie ( Journal of practical chemistry, from 1870 to 1884 ), Kolbe was sometimes so severely critical of the work of others, especially after about 1874, that some wondered whether he might have been suffering a mental illness.

The functions of these synapses are very diverse: some are excitatory ( excite the target cell ); others are inhibitory ; others work by activating second messenger systems that change the internal chemistry of their target cells in complex ways.

This is determined by the crystal structure ( which restricts the possible facet orientations ), the specific crystal chemistry and bonding ( which may favor some facet types over others ), and the conditions under which the crystal formed.

* Filter ( chemistry ), a device ( usually a membrane or layer ) that is designed to physically block certain objects or substances while letting others through

Not all MUDs are games ; some are designed for educational purposes, while others are purely chat environments, and the flexible nature of many MUD servers leads to their occasional use in areas ranging from computer science research to geoinformatics to medical informatics to analytical chemistry.

The field covers the chemistry, physics and engineering applications of materials including metals, ceramics, artificial polymers, and many others.

In this capacity, he was able to influence and guide programs in many divisions: theoretical, physics, chemistry, metallurgy, weapons, health, Rover, and others.

The last appeal is often to the chemistry, for there are certain rock types which occur only as sediments, while others are found only among igneous

Through the studies of Lavoisier, Joseph Priestley, Scheele, and others, chemistry was made a standardized field with consistent procedures.

His spheres of science were natural science, chemistry, physics, mineralogy, history, art, philology, optical devices and others.

Numerous " firsts " in medical research, clinical care, and chemistry are attributed to him, including being the first to differentiate smallpox from measles, and the discovery of numerous compounds and chemicals including kerosene, among others.

He spent his last years at Purdue studying sorghum culture and sugar chemistry, hoping, as did others, to help the United States develop a strong domestic sugar industry.

These products of ozone chemistry include formaldehyde, higher molecular weight aldehydes, acidic aerosols, and fine and ultrafine particles, among others.

The school has renowned engineering, science, business, hospitality management, education, urban affairs and public policy, public administration, agriculture, history, chemical engineering, chemistry and biochemistry programs, among others, drawing from the historically strong presence of the nation's chemical and pharmaceutical industries in the state of Delaware.

Ayesha reveals that she has learned secret of immortality and that she possesses other supernatural powers including the ability to read the minds of others, a form of telegnosis and the ability to heal wounds and cure illness ; she is also revealed to have a tremendous knowledge of chemistry, but is notably unable to see into the future.

To evaluate the time since death and the cause of death, many people from the various professional areas in the forensic field may step in ; these fields include: pathology, toxicology, chemistry, biology, odontology, entomology, and psychiatry among others.

In chemistry and common usage, a filter is a device ( usually a membrane or layer ) that is designed to physically block certain objects or substances while letting others through, depending on their size.

* Defining equation ( physical chemistry ), physico-chemical quantities defined in terms of others, in the form of an equation

The optional subjects are: astronomy, biology, biotechnology, business economics, chemistry, computer science, design, drama, Greek, media-subject, Latin, music, physical geography, philosophy, psychology, rhetorics, study of technology, visual arts, and others.

His experimental station did not survive him, or rather could not withstand the vacillations of the 1870 Franco-Prussian war despite some revealing respect for intellectual works in WWII anecdotes, but his discoveries were built on by others, including his better known contemporary, Liebig – who loudly acknowledged Boussingault as the pioneer and great discover of many advances in soil and plant chemistry.

His first stint in India was marked by work in the subjects of botanical pharmacology, chemistry, galvanic electricity, and underwater conduction, among others.

Following a year of post-doctoral work in Germany, where he studied under Victor Meyer and others, Richards returned to Harvard as an assistant in chemistry, then instructor, assistant professor, and finally full professor in 1901.