scholarly journals Parallel Processing on ab initio Crystal Orbital Calculations of One-Dimensional Polymers.

1998 ◽  
Vol 4 (2) ◽  
pp. 73-80 ◽  
Author(s):  
Hiroyuki TERAMAE
Keyword(s):  
Parallel Processing ◽  
Ab Initio ◽  
One Dimensional ◽  
Crystal Orbital

Ab-initio Crystal Orbital Study of One-Dimensional Hydrogen Bonded Chain-Formic Acid

1976 ◽  
Vol 31 (6) ◽  
pp. 637-638 ◽  
Author(s):  
M. Kertesz ◽  
J. Koller ◽  
E. Zakrajšek ◽  
A. Ažman
Keyword(s):  
Formic Acid ◽  
Ab Initio ◽  
Binding Energies ◽  
One Dimensional ◽  
Crystal Orbital ◽  
Orbital Study ◽  
Hydrogen Bonded

Ab initio crystal orbital calculations on the β- and α-form are described. The binding energies and charge rearangement in hydrogen bonded chains are discussed

scholarly journals Study on Parallel Processing of ab initio Crystal Orbital Calculations Using PC Cluster

2002 ◽  
Vol 8 (2) ◽  
pp. 55-60 ◽  
Author(s):  
Hiroyuki TERAMAE ◽  
Kazushige OHTAWARA
Keyword(s):  
Parallel Processing ◽  
Ab Initio ◽  
Pc Cluster ◽  
Crystal Orbital

Energy gradient in the ab initio Hartree—Fock crystal-orbital formalism of one-dimensional infinite polymers

1983 ◽  
Vol 101 (2) ◽  
pp. 149-152 ◽  
Author(s):  
Hiroyuki Teramae ◽  
Tokio Yamabe ◽  
Chikatoshi Satoko ◽  
Akira Imamura
Keyword(s):  
Ab Initio ◽  
One Dimensional ◽  
Hartree Fock ◽  
Crystal Orbital ◽  
Energy Gradient

Ab initio study of (FeCpVCp) @MoS2 NT — A one-dimensional bimetallic sandwich molecular wire (FeCpVCp) encapsulated into MoS2 nanotube

2019 ◽  
Vol 523 ◽  
pp. 1-6
Author(s):  
Yuxiu Wang ◽  
Cuicui Sun ◽  
Zhao-Di Yang ◽  
Hong Yu ◽  
Ping Pan ◽  
...  
Keyword(s):  
Ab Initio ◽  
Molecular Wire ◽  
Ab Initio Study ◽  
One Dimensional

Sequential and Parallel Processing in Boundary Selections on One-Dimensional Pictorial Stimuli

1965 ◽  
Vol 20 (3) ◽  
pp. 789-801 ◽  
Author(s):  
Charles Fried ◽  
Azriel Rosenfeld ◽  
Louis J. Gerstman
Keyword(s):  
Parallel Processing ◽  
Original Film ◽  
Stimulus Material ◽  
One Dimensional ◽  
Pictorial Stimuli

Sequential and parallel scanning models were devised to predict Ss' selections of boundaries between dissimilar regions on one-dimensional film strips. The use of this type of stimulus material is justified and the method of its construction is discussed. Variations of the original film strips were employed to provide further tests of the models' predicted boundary choices. General agreement was obtained between Ss' boundary selections and those predicted by the models.

Construction and characterization of compound holographic lenses for multichannel one-dimensional Fourier transformation and optical parallel processing

2005 ◽  
Vol 249 (1-3) ◽  
pp. 85-94 ◽  
Author(s):  
M. Victoria Collados ◽  
Jesús Atencia ◽  
José Tornos ◽  
Manuel Quintanilla
Keyword(s):  
Parallel Processing ◽  
Fourier Transformation ◽  
One Dimensional
Sign in / Sign up

Export Citation Format

Share Document