Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Quantum mechanics, in computational chemistry

Since the time of Corey s work both experimental and computational methods have advanced very much. The use of modem NMR methods makes it much easier to unravel conformational details experimentally than was possible in the 1950s. The advent of quantum mechanics in computational chemistry, and the availability of computers to solve real problems by that method, has made it easier for us to understand in considerably more detail just what is involved in problems of this nature. Further, by modeling this type of problem with molecular mechanics, we can also quantitatively understand the problem in the familiar terms of physical organic chemistry. [Pg.181]


See other pages where Quantum mechanics, in computational chemistry is mentioned: [Pg.85]    [Pg.86]    [Pg.86]    [Pg.88]    [Pg.90]    [Pg.92]    [Pg.94]    [Pg.96]    [Pg.98]    [Pg.100]    [Pg.102]    [Pg.104]    [Pg.106]    [Pg.108]    [Pg.110]    [Pg.112]    [Pg.114]    [Pg.116]    [Pg.118]    [Pg.120]    [Pg.122]    [Pg.124]    [Pg.126]    [Pg.128]    [Pg.130]    [Pg.132]    [Pg.136]    [Pg.138]    [Pg.140]    [Pg.142]    [Pg.144]    [Pg.146]    [Pg.148]    [Pg.150]    [Pg.152]    [Pg.154]    [Pg.156]    [Pg.158]    [Pg.160]    [Pg.162]    [Pg.164]    [Pg.166]    [Pg.168]    [Pg.170]    [Pg.172]    [Pg.81]   
See also in sourсe #XX -- [ Pg.56 , Pg.57 , Pg.57 ]




SEARCH



Computational chemistry

Computational chemistry quantum mechanics

Computational mechanics

Computational quantum chemistry

Computational quantum mechanics

Computer chemistry

Computer mechanical

Introduction to Quantum Mechanics in Computational Chemistry

Quantum chemistry

Quantum chemistry computer

Quantum computation

Quantum computing

Quantum mechanical computations

© 2024 chempedia.info