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Theoretical chemistry: current applications to photochemistry and thermochemistry
(SPRINGERNEW YORK, 2012)
A historical perspective is given contrasting challenges and advances in theoretical chemistry at the time the first issue of Theoretical Chemistry Accounts appeared in 1962 and the progress achieved since then as expressed ...
A new chapter in the problem of the reduction of chemistry to physics: The Quantum Theory of Atoms in Molecules
(Springer, 2019-01)
The problem of the reduction of chemistry to physics has been traditionally addressed in terms of classical structural chemistry and standard quantum mechanics. In this work, we will study the problem from the perspective ...
Orbitals in general chemistry, Part II: Mathematical Realities
(2021)
In Part II of a three-part series, we discuss two factors absent from textbooks of general chemistry that are important in a discussion
of teaching orbitals. First, atomic orbitals are shown systematically to comprise ...
General Chemistry Without Orbitals
(2020)
We illustrate the solutions of Schroedinger's equation for the hydrogen atom in coordinates of all four systems, and differentiate the applicability of orbitals in these four systems. We present reasons that future textbooks ...
Linking chemistry with physics: Arguments and counterarguments
(Kluwer Academic Publishers, 2014-10)
The many-faced relationship between chemistry and physics is one of the most discussed topics in the philosophy of chemistry. In his recent book Reducing Chemistry to Physics. Limits, Models, Consequences, Hinne Hettema ...
A quantum chemical study on the formation of phosphorus mononitride
(ELSEVIER SCIENCE BV, 2009)
The chemical mechanism of the (1)PN formation was successfully studied by using the CCSD(T)/6-311++G(3df,3pd) level of theory. The (1)NH(3) + (3)PH and (4)P + NH(3) reaction paths are not energetically favorable to form ...
A quantum chemical study on the formation of phosphorus mononitride
(Elsevier B.V., 2014)
A quantum chemical study on the formation of phosphorus mononitride
(Elsevier B.V., 2009-09-18)
The chemical mechanism of the (1)PN formation was successfully studied by using the CCSD(T)/6-311++G(3df,3pd) level of theory. The (1)NH(3) + (3)PH and (4)P + NH(3) reaction paths are not energetically favorable to form ...
A quantum chemical study on the formation of phosphorus mononitride
(Elsevier B.V., 2009-09-18)
The chemical mechanism of the (1)PN formation was successfully studied by using the CCSD(T)/6-311++G(3df,3pd) level of theory. The (1)NH(3) + (3)PH and (4)P + NH(3) reaction paths are not energetically favorable to form ...