Computational and Theoretical Chemistry information

Computational and Theoretical Chemistry is a peer-reviewed scientific journal published by Elsevier. It was established in 1985 as Journal of Molecular...

Computational chemistry differs from theoretical chemistry, which involves a mathematical description of chemistry. However, computation chemistry involves...

Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry:...

development and application of theoretical methods" in chemistry, particularly theoretical chemistry and computational chemistry. It was originally called...

analytically and so approximate and/or computational solutions must be sought. The process of seeking computational solutions to these problems is part...

The Centre for Theoretical and Computational Chemistry (CTCC) was founded by the Norwegian Research Council in 2007. The duration of the project is ten...

Computational physics is the study and implementation of numerical analysis to solve problems in physics. Historically, computational physics was the...

of Computational Biophysics and Chemistry is a peer-reviewed scientific journal covering developments in theoretical and computational chemistry and biophysics...

(DMDEE) and 1,4-dimethylpiperazine (DMP) – A combined experimental and theoretical study". Computational and Theoretical Chemistry. 1221: 114045...

was a British theoretical chemist who was awarded the Nobel Prize in Chemistry with Walter Kohn in 1998 for his development of computational methods in quantum...

semantics and verification, algorithmic game theory, machine learning, computational biology, computational economics, computational geometry, and computational...

"(HNg+)(OH2) complexes (Ng=He–Xe): An ab initio and DFT theoretical investigation". Computational and Theoretical Chemistry. 1017: 117–125. doi:10.1016/j.comptc...

In computer science, and more specifically in computability theory and computational complexity theory, a model of computation is a model which describes...

Physics Computational and Theoretical Chemistry (formerly known as THEOCHEM) Journal of Computational Chemistry Annual Review of Physical Chemistry International...

Computational astrophysics refers to the methods and computing tools developed and used in astrophysics research. Like computational chemistry or computational...

Theoretical astronomy is the use of analytical and computational models based on principles from physics and chemistry to describe and explain astronomical...

development of computational chemistry, which is the art of developing and applying computer programs for solving chemical problems. Theoretical chemistry has large...

in theoretical chemistry, physical chemistry, quantum chemistry, and computational chemistry. It was founded in 1962 as Theoretica Chimica Acta and was...

and Developmental Anatomy International Journal of Clinical and Experimental Medical Sciences International Journal of Computational and Theoretical Chemistry...

published in Computational and Theoretical Chemistry, crediting Lazen and Boehr as co-authors. Tetranitratoxycarbon consists of oxygen, nitrogen, and carbon...

method for calculation of molecular hardness: A theoretical study". Computational and Theoretical Chemistry. 1060: 66–70. doi:10.1016/j.comptc.2015.03.004...

Computational biology refers to the use of data analysis, mathematical modeling and computational simulations to understand biological systems and relationships...

quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initio was first used in quantum chemistry by Robert...

hexanitroazobenzene: Structures, detonation performance, and sensitivity". Computational and Theoretical Chemistry. 1203: 113344. doi:10.1016/j.comptc.2021.113344...

This is a list of persons known for work in computational chemistry. Reinhart Ahlrichs (1940–2016), developer of TURBOMOLE Norman Allinger (c. 1928–2020)...

The Computational Chemistry List (CCL) was established on January 11, 1991, as an independent electronic forum for chemistry researchers and educators...

study of the reactivity descriptors and antioxidant behavior of Crocin". Computational and Theoretical Chemistry. 1013: 123–129. doi:10.1016/j.comptc...