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Chemistry professor Linda Shimizu oversees a series of crowd-pleasing chemistry demonstrations in middle and high schools throughout central South Carolina every year. They are spirited affa...
Calculation of analytical gradients of parameters of surface meshes on the molecular surfaces over atoms coordinates
surface meshes analytical gradients numerical gradients molecular surface primary rolling
2011/8/3
Abstract: The problem of finding of analytical gradients (derivatives over atoms coordinates) of solvation energies can be decomposed on two subtasks: at the first stage we search for parameters of th...
Long-range interactions between ultracold atoms and molecules including atomic spin-orbit
ultracold atoms and molecules Long-range interactions spin-orbit
2011/8/31
We investigate theoretically the long-range electrostatic interactions between a ground-state homonuclear alkali-metal dimer and an excited alkali-metal atom taking into account its fine-structure. Th...
Universal ultracold collision rates for polar molecules of two alkali-metal atoms
Physical Chemistry Chemical Physics cold molecules
2011/8/29
Universal collision rate constants are calculated for ultracold collisions of two like bosonic or fermionic heteronuclear alkalimetal dimers involving the species Li, Na, K, Rb, or Cs. Universal colli...
厦门大学结构化学课件Chapter 2 The structure and properties of atoms。
Evaluation of Orbital- and Ground State Energies of Some Open- and Closed-Shell Atoms over Integer and Noninteger Slater Type Orbitals
integer and noninteger Slater type orbital ground state energy of open- and closed-shell atoms incomplete beta function.
2007/12/19
摘要 Ab initio calculations of the orbital and the ground state energies of some open- and closed-shell atoms over Slater type orbitals with quantum numbers integer and Slater type orbitals with quantum...