A combined quantum chemistry and classical molecular interaction energy method for the determination of crystal geometries and energies
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1424316
Reference29 articles.
1. Atomic charges derived from semiempirical methods
2. An approach to computing electrostatic charges for molecules
3. Atomic charges derived from electrostatic potentials: A detailed study
4. Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis
5. A METHOD FOR THE EVALUATION OF SOME LATTICE SUMS OCCURRING IN CALCULATIONS OF PHYSICAL PROPERTIES OF CRYSTALS
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1. Ethanol−Water Mediated Solvothermal Synthesis of Cube and Pyramid Shaped Nanostructured Tin Oxide;The Journal of Physical Chemistry C;2008-03-29
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4. Determination of the crystalline structure of nonlinear molecules in a combined quantum chemical and classic lattice potential description;International Journal of Quantum Chemistry;2003
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