APPLICATION OF CHARGE DENSITY METHODS TO A PROTEIN MODEL COMPOUND: CALCULATION OF COULOMBIC INTERMOLECULAR INTERACTION ENERGIES FROM THE EXPERIMENTAL CHARGE DENSITY
Journal Article
·
· Proceedings of the National Academy of Sciences of the United States of America
No abstract prepared.
- Research Organization:
- Brookhaven National Laboratory, National Synchrotron Light Source (US)
- Sponsoring Organization:
- DOE/OFFICE OF SCIENCE (US)
- DOE Contract Number:
- AC02-98CH10886
- OSTI ID:
- 15008901
- Report Number(s):
- BNL-53309; TRN: US0405155
- Journal Information:
- Proceedings of the National Academy of Sciences of the United States of America, Vol. 99, Issue 19; Other Information: PBD: 1 Jan 2002
- Country of Publication:
- United States
- Language:
- English
Similar Records
298. The Experimental Charge Density Approach (ECDA) in the evaluation of intermolecular interactions. Application of a new module of the XD programming package to several solids including a pentapeptide
Use of x-ray charge densities in the calculation of intermolecular interactions and lattice energies: Application to glycylglycine, DL-histidine, and DL-proline and comparison with theory
The Experimental Charge-Density Approach in the Evaluation of Intermolecular Interactions. Application of a New Module of the XD Programming Package to Several Solids Including a Pentapeptide
Journal Article
·
Sat Jan 01 00:00:00 EST 2000
· Acta Cryst. A
·
OSTI ID:15008901
+1 more
Use of x-ray charge densities in the calculation of intermolecular interactions and lattice energies: Application to glycylglycine, DL-histidine, and DL-proline and comparison with theory
Journal Article
·
Thu Mar 09 00:00:00 EST 2000
· Journal of Physical Chemistry B: Materials, Surfaces, Interfaces, amp Biophysical
·
OSTI ID:15008901
+1 more
The Experimental Charge-Density Approach in the Evaluation of Intermolecular Interactions. Application of a New Module of the XD Programming Package to Several Solids Including a Pentapeptide
Journal Article
·
Wed Nov 01 00:00:00 EST 2000
· Acta Crystallographica. Section A, Foundations of Crystallography
·
OSTI ID:15008901
+1 more