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Andzelm, J.
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1

Atomistic Simulations with Carbon Nanotubes - Classical, Qu..:

Maiti, A. ; Andzelm, J. ; Svizhenko, A...
physica status solidi (b).  233 (2002)  1 - p. 49-58 , 2002
Link: https://doi.org/10.1002/..
 
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2

Theoretical Study of Hydrogen Adsorption and Diffusion on T..:

Siodmiak, M. ; Govind, N. ; Andzelm, J....
physica status solidi (b).  226 (2001)  1 - p. 29-36 , 2001
Link: https://doi.org/10.1002/..
 
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3

Incorporation of reaction field effects into density functi..:

Rashin, A.A. ; Bukatin, M.A. ; Andzelm, J..
Biophysical Chemistry.  51 (1994)  2-3 - p. 375-392 , 1994
Link: https://doi.org/10.1016/..
 
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4

Density functional Gaussian-type-orbital approach to molecu..:

Andzelm, J. ; Wimmer, E.
The Journal of Chemical Physics.  96 (1992)  2 - p. 1280-1303 , 1992
Link: https://doi.org/10.1063/..
 
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5

Second derivatives of the local-density-functional total en..:

Dunlap, B. I. ; Andzelm, J.
Physical Review A.  45 (1992)  1 - p. 81-87 , 1992
Link: https://doi.org/10.1103/..
 
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6

DGauss - a density functional method for molecular and elec..:

Andzelm, J. ; Wimmer, E.
Physica B: Condensed Matter.  172 (1991)  1-2 - p. 307-317 , 1991
Link: https://doi.org/10.1016/..
 
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7

Electronic and magnetic properties of a carbon atom chemiso..:

Fournier, R. ; Andzelm, J. ; Goursot, A...
The Journal of Chemical Physics.  93 (1990)  4 - p. 2919-2926 , 1990
Link: https://doi.org/10.1063/..
 
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8

Local-density-functional total energy gradients in the line..:

Dunlap, B. I. ; Andzelm, J. ; Mintmire, J. W.
Physical Review A.  42 (1990)  11 - p. 6354-6359 , 1990
Link: https://doi.org/10.1103/..
 
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9

Analytical gradient of the linear combination of Gaussian-t..:

Fournier, R. ; Andzelm, J. ; Salahub, D.R.
The Journal of Chemical Physics.  90 (1989)  11 - p. 6371-6377 , 1989
Link: https://doi.org/10.1063/..
 
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10

Quantum Monte Carlo method for some model and realistic cou..:

Caffarel, M. ; Claverie, P. ; Mijoule, C...
The Journal of Chemical Physics.  90 (1989)  2 - p. 990-1002 , 1989
Link: https://doi.org/10.1063/..
 
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11

Surface extended energy loss fine structure and local spin ..:

Chiarello, G. ; Andzelm, J. ; Fournier, R...
Surface Science.  202 (1988)  3 - p. L621-L626 , 1988
Link: https://doi.org/10.1016/..
 
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12

Chemisorption of O and O2 on Ag(110): An LCGTO‐LSD cluster ..:

Selmani, A. ; Andzelm, J. ; Salahub, D. R.
International Journal of Quantum Chemistry.  29 (1986)  4 - p. 829-842 , 1986
Link: https://doi.org/10.1002/..
 
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13

Chemisorption of CO on Pd(100): An lcgto‐lsd cluster study:

Andzelm, J. ; Salahub, D. R.
International Journal of Quantum Chemistry.  29 (1986)  5 - p. 1091-1104 , 1986
Link: https://doi.org/10.1002/..
 
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14

Hydrogen chemisorption on, and diffusion through, palladium..:

Baykara, N. A. ; Andzelm, J. ; Salahub, D. R..
International Journal of Quantum Chemistry.  29 (1986)  4 - p. 1025-1032 , 1986
Link: https://doi.org/10.1002/..
 
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15

Compact basis sets for LCAO‐LSD calculations. Part I: Metho..:

Andzelm, J. ; Radzio, E. ; Salahub, D. R.
Journal of Computational Chemistry.  6 (1985)  6 - p. 520-532 , 1985
Link: https://doi.org/10.1002/..
 
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