Local-density-functional study of the fullerenes, graphene and graphite
Dunlap, B I, Boettger, J C
Published in Journal of physics. B, Atomic, molecular, and optical physics (14.11.1996)
Published in Journal of physics. B, Atomic, molecular, and optical physics (14.11.1996)
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Journal Article
D-D (H-H) interactions within the interstices on Pd
WHITE, C. T, BRENNER, D. W, MOWREY, R. C, MINTMIRE, J. W, SCHMIDT, P. P, DUNLAP, B. I
Published in Japanese Journal of Applied Physics (1991)
Published in Japanese Journal of Applied Physics (1991)
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Journal Article
Geometric and electronic structures of C60H60, C60F60, and C60H36
Dunlap, B. I, Brenner, D. W, Mintmire, J. W, Mowrey, R. C, White, C. T
Published in Journal of physical chemistry (1952) (01.07.1991)
Published in Journal of physical chemistry (1952) (01.07.1991)
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Journal Article
Interpreting the near edges of O2 and O2- in alkali-metal superoxides
Ruckman, MW, Chen, J, Qiu, SL, Kuiper, P, Strongin, M, Dunlap, BI
Published in Physical review letters (28.10.1991)
Published in Physical review letters (28.10.1991)
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Journal Article
Quantum Chemical Studies of Boron Fullerene Analogs
Derecskei-Kovacs, A, Dunlap, B. I, Lipscomb, W. N, Lowrey, A, Marynick, D. S, Massa, L
Published in Inorganic chemistry (01.12.1994)
Published in Inorganic chemistry (01.12.1994)
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Journal Article
Simulations of C60 collisions with a hydrogen-terminated diamond {111} surface
MOWREY, R. C, BRENNER, D. W, DUNLAP, B. I, MINTMIRE, J. W, WHITE, C. T
Published in Journal of physical chemistry (1952) (19.09.1991)
Published in Journal of physical chemistry (1952) (19.09.1991)
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Journal Article
Radial vibrations of a sodium ion inside icosahedral C60
Ballester, JL, Dunlap, BI
Published in Physical review. A, Atomic, molecular, and optical physics (01.06.1992)
Published in Physical review. A, Atomic, molecular, and optical physics (01.06.1992)
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Journal Article
Attachment of two electrons to C60F48: Coulomb barriers in doubly charged anions
Jin, C, Hettich, RL, Compton, RN, Tuinman, A, Derecskei-Kovacs, A, Marynick, DS, Dunlap, BI
Published in Physical review letters (21.11.1994)
Published in Physical review letters (21.11.1994)
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Journal Article
Interactions between fullerene (C60) and endohedral alkali atoms
Dunlap, B. I, Ballester, J. L, Schmidt, P. P
Published in Journal of physical chemistry (1952) (01.11.1992)
Published in Journal of physical chemistry (1952) (01.11.1992)
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Journal Article
Chemical forces associated with deuterium confinement in palladium
Mintmire, J.W., Dunlap, B.I., Brenner, D.W., Mowrey, R.C., Ladouceur, H.D., Schmidt, P.P., White, C.T., O'Grady, W.E.
Published in Physics letters. A (12.06.1989)
Published in Physics letters. A (12.06.1989)
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Journal Article
Local density functional electronic structures of three stable icosahedral fullerenes
Dunlap, B. I, Brenner, D. W, Mintmire, J. W, Mowrey, R. C, White, C. T
Published in Journal of physical chemistry (1952) (01.10.1991)
Published in Journal of physical chemistry (1952) (01.10.1991)
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Journal Article