검색결과 : 18건
| No. | Article |
|---|---|
| 1 |
Atomic correlation energy from the electron density at the nucleus Liu S, Parr RG Journal of Physical Chemistry A, 111(41), 10422, 2007 |
| 2 |
What is an atom in a molecule? Parr RG, Ayers PW, Nalewajski RF Journal of Physical Chemistry A, 109(17), 3957, 2005 |
| 3 |
Representing potential energy functions by expansions in orthogonal polynomials. Generalized SPF potentials Parr RG, Ayers PW Journal of Physical Chemistry A, 106(20), 5060, 2002 |
| 4 |
Information theory thermodynamics of molecules and their Hirshfeld fragments Nalewajski RF, Parr RG Journal of Physical Chemistry A, 105(31), 7391, 2001 |
| 5 |
Variational principles for describing chemical reactions. Reactivity indices based on the external potential Ayers PW, Parr RG Journal of the American Chemical Society, 123(9), 2007, 2001 |
| 6 |
A theoretical perspective on the bond length rule of Grochala, Albrecht, and Hoffmann Ayers PW, Parr RG Journal of Physical Chemistry A, 104(11), 2211, 2000 |
| 7 |
Variational principles for describing chemical reactions: The Fukui function and chemical hardness revisited Ayers PW, Parr RG Journal of the American Chemical Society, 122(9), 2010, 2000 |
| 8 |
Alternative definition of exchange-correlation charge in density functional theory Liu SB, Ayers PW, Parr RG Journal of Chemical Physics, 111(14), 6197, 1999 |
| 9 |
Electrophilicity index Parr RG, Von Szentpaly L, Liu SB Journal of the American Chemical Society, 121(9), 1922, 1999 |
| 10 |
2nd-Order Density-Functional Description of Molecules and Chemical-Changes Liu SB, Parr RG Journal of Chemical Physics, 106(13), 5578, 1997 |