Sentence examples for based on quantum chemistry from inspiring English sources

In this study, the chemical kinetics of HTO + H2 → H2O + HT is investigated based on quantum chemistry.

For calculating acidities we developed and applied several models based on quantum chemistry (modified G3, MP2/def2-QZVPP, MP2-extrapolated CCSD(T)/aug'-COSMO@BP86/def-TZVPP86/detcTZVP, etc).. Our investigations also point out the inadequateness of the established GA scale, which in contrast to our unified acidity scale does not take into account the pressure dependent speciation in the gas phase.

"Computational quantum chemistry," says Martin Head-Gordon, professor of chemistry at the University of California, Berkeley, "is basically the field that develops theoretical algorithms and software based on quantum mechanics to predict properties of molecules from first principles".

One tool that modern chemistry now has at its disposal (which Watson and Crick did not have) are accurate molecular models based on quantum mechanical calculations.

Displays based on quantum dots are the same as liquid-crystal displays, or LCDs, used widely today.

Their work could lead to the building of a new kind of super-fast computer based on quantum physics.

Others raise objections based on quantum physics (Davies, 1984, 200).

The DQC is based on quantum mechanics techniques from physics.

One of my favorite explanations is the Subatomic Pyrotron Theory, which is based on quantum physics.

Below are components of an argument for a secular soul based on quantum physics and biology.

Initial measurements show very good agreement between experimental values and calculations based on quantum theory.