E-LIB Suche - Ergebnisse für: Parr, Robert G.

1

Density-functional theory of atoms and molecules

International series of monographs on chemistry, 16

Parr, Robert G ; Yang, Weitao , 2020

2

A reference‐free stockholder partitioning method based on t..:

Fias, Stijn ; Heidar‐Zadeh, Farnaz ; Anderson, James S. M...
Journal of Computational Chemistry. 39 (2017) 17 - p. 1044-1050 , 2017

Link: https://doi.org/10.1002/..

3

The scientific contributions of S. F. Boys:

Parr, Robert G.
International Journal of Quantum Chemistry. 7 (2009) S7 - p. 123-126 , 2009

Link: https://doi.org/10.1002/..

4

Erich Hückel and Friedrich Hund-Pioneers in quantum chemist..:

Parr, Robert G.
International Journal of Quantum Chemistry. 12 (2009) S11 - p. 29-37 , 2009

Link: https://doi.org/10.1002/..

5

Remark on the analytical form of Isorbitals in atoms and mo..:

Weare, John H. ; Parr, Robert G.
International Journal of Quantum Chemistry. 1 (2009) S1 - p. 163-165 , 2009

Link: https://doi.org/10.1002/..

6

Beyond electronegativity and local hardness: Higher-order e..:

Ayers, Paul W. ; Parr, Robert G.
The Journal of Chemical Physics. 129 (2008) 5 - p. , 2008

Link: https://doi.org/10.1063/..

7

Local hardness equalization: Exploiting the ambiguity:

Ayers, Paul W. ; Parr, Robert G.
The Journal of Chemical Physics. 128 (2008) 18 - p. , 2008

Link: https://doi.org/10.1063/..

8

Atomic Correlation Energy from the Electron Density at the ..:

Liu, Shubin ; Parr, Robert G.
The Journal of Physical Chemistry A. 111 (2007) 41 - p. 10422-10425 , 2007

Link: https://doi.org/10.1021/..

9

Elucidating the hard/soft acid/base principle: A perspectiv..:

Ayers, Paul W. ; Parr, Robert G. ; Pearson, Ralph G.
The Journal of Chemical Physics. 124 (2006) 19 - p. , 2006

Link: https://doi.org/10.1063/..

10

Approximate scaling properties of the density functional th..:

Liu, Shubin ; Morrison, Robert C. ; Parr, Robert G.
The Journal of Chemical Physics. 125 (2006) 17 - p. , 2006

Link: https://doi.org/10.1063/..

11

Some late-term thoughts of a density-functional theorist:

Parr, Robert G.
Journal of Chemical Sciences. 117 (2005) 6 - p. 685-685 , 2005

Link: https://doi.org/10.1007/..

12

Some late-term thoughts of a density-functional theorist:

Parr, Robert G.
Journal of Chemical Sciences. 117 (2005) 5 - p. 613-615 , 2005

Link: https://doi.org/10.1007/..

13

Fermi-Amaldi model for exchange-correlation: atomic excitat..:

Ayers *, Paul W. ; Morrison, Robert C. ; Parr, Robert G.
Molecular Physics. 103 (2005) 15-16 - p. 2061-2072 , 2005

Link: https://doi.org/10.1080/..

14

What Is an Atom in a Molecule?:

Parr, Robert G. ; Ayers, Paul W. ; Nalewajski, Roman F.
The Journal of Physical Chemistry A. 109 (2005) 17 - p. 3957-3959 , 2005

Link: https://doi.org/10.1021/..

15

Sufficient condition for monotonic electron density decay i..:

Ayers, Paul W. ; Parr, Robert G.
International Journal of Quantum Chemistry. 95 (2003) 6 - p. 877-881 , 2003

Link: https://doi.org/10.1002/..