Blank Cover Image

Self Consistent-Charge Density-Functional Tight-Binding Method for Simulations of Biological Molecules

Author(s):
Publication title:
Multiscale modelling of materials : symposium held November 30-December 3, 1998, Boston, Massachusets, U.S.A.
Title of ser.:
Materials Research Society symposium proceedings
Ser. no.:
538
Pub. Year:
1999
Page(from):
541
Pub. info.:
Warrendale, Pa.: MRS - Materials Research Society
ISSN:
02729172
ISBN:
9781558994447 [1558994440]
Language:
English
Call no.:
M23500/538
Type:
Conference Proceedings

Similar Items:

1 Conference Proceedings A Self-Consistent-Charge Density-Functional Tight-Binding Scheme

Elstner, M., Porezag, D., Jungnickel, G., Frauenheim, Th., Suhai, S., Seifert, G.

MRS - Materials Research Society
7 Conference Proceedings MOLECULAR DYNAMIC STRUCTURE INVESTIGATIONS OF THE SURFACE STABILITY AND ADSORPTION OF H, H2, CH3, C2H2: (100) DIAMOND

Frauenheim, Th., Blaudeck, P., Porezag, D.

Materials Research Society
2 Conference Proceedings An Ab Initio Two-Center Tight-Binding Approach to Simulations of Complex Materials Properties

Frauenheim, Th., Porezag, D., Elstner, M., Jungnickel, G., Elsner, J., Haugk, M., Sieck, A., Seifert, G.

MRS - Materials Research Society
8 Conference Proceedings Density Functional Based Tight Binding Study of C2 and CN Deposition on (100) Diamond Surface

Sternberg, Michael, Zapol, Peter, Frauenheim, Thomas, Carlisle, John, Gruen, Dieter M., Curtiss, Larry A.

Materials Research Society
3 Conference Proceedings Density-Functional Based MD Studies of Low-Energy Atom Collisions onto Diamond and Graphite

Uhlmann,S., Stephan,U., Frauenheim,Th., Seifert,G.

MRS - Materials Research Society
9 Conference Proceedings Investigation of Crystalline Quartz and Molecular Silicon-Oxygen Compounds With a Simplified LCAO-LDA Method

Kaschner, R., Seifert, G., Frauenheim, Th., Kohler, Th.

MRS - Materials Research Society
4 Conference Proceedings A Theoretical Approach to Functionalization of Carbon Nanotubes

Frauenheim, T., Seifert, G., Koehler, T., Elstner, M., Lee, S.M., Lee, Y.H.

Kluwer Academic Publishers
10 Conference Proceedings GaN Nanotubes

Lee, S. M., Lee, Y. H., Hwang, Y. G., Elsner, J., Porezag, D., Frauenheim, T.

MRS - Materials Research Society
5 Conference Proceedings Density functional tight-binding for self-consistent computation of the transport properties of molecular electronic devices

Pecchia, A., Latessa, L., Carlo, A.D., Lugli, P.

SPIE - The International Society of Optical Engineering
11 Conference Proceedings Diamond {111} Surface: Graphitization or Reconstruction?

Jungnickel, G., Porezag, D., Frauenheim, Th., Lambrecht, W. R. L., Segall, B., Angus, J. C.

Materials Research Society
6 Conference Proceedings Vibrational Signatures of Diamond Surfaces

Kohler, Th., Frauenheim, Th., Porezag, D., Pederson, M.

Materials Research Society
12 Conference Proceedings Self-Consistent Tight-Binding Methods Applied to Semi-conductor Nanostructures

Carlo, Aldo Di

MRS - Materials Research Society
1
 
2
 
3
 
4
 
5
 
6
 
7
 
8
 
9
 
10
 
11
 
12