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1.
Conformation and electronic structure of polyethylene: A density-functional approach.
Miao MS; Van Camp PE; Van Doren VE; Ladik JJ; Mintmire JW.
Phys Rev B Condens Matter ; 54(15): 10430-10435, 1996 Oct 15.
Article in English | MEDLINE | ID: mdl-9984839
2.
Electrostatic potentials for metal-oxide surfaces and interfaces.
Streitz FH; Mintmire JW.
Phys Rev B Condens Matter ; 50(16): 11996-12003, 1994 Oct 15.
Article in English | MEDLINE | ID: mdl-9975340
3.
Molecular-dynamics simulations of void collapse in shocked model-molecular solids.
Mintmire JW; Robertson DH; White CT.
Phys Rev B Condens Matter ; 49(21): 14859-14864, 1994 Jun 01.
Article in English | MEDLINE | ID: mdl-10010587
4.
Helical and rotational symmetries of nanoscale graphitic tubules.
White CT; Robertson DH; Mintmire JW.
Phys Rev B Condens Matter ; 47(9): 5485-5488, 1993 Mar 01.
Article in English | MEDLINE | ID: mdl-10006726
5.
Energetics of nanoscale graphitic tubules.
Robertson DH; Brenner DW; Mintmire JW.
Phys Rev B Condens Matter ; 45(21): 12592-12595, 1992 Jun 01.
Article in English | MEDLINE | ID: mdl-10001304
6.
Structural and elastic properties of transition-metal superlattices.
Jones RS; Slotwinski JA; Mintmire JW.
Phys Rev B Condens Matter ; 45(23): 13624-13630, 1992 Jun 15.
Article in English | MEDLINE | ID: mdl-10001453
7.
Are fullerene tubules metallic?
Mintmire JW; Dunlap BI; White CT.
Phys Rev Lett ; 68(5): 631-634, 1992 Feb 03.
Article in English | MEDLINE | ID: mdl-10045950
8.
Group-IV covalent clusters: Si45 and C44 versus Si44 and C45.
Brenner DW; Dunlap BI; Harrison JA; Mintmire JW; Mowrey RC; Robertson DH; White CT.
Phys Rev B Condens Matter ; 44(7): 3479-3482, 1991 Aug 15.
Article in English | MEDLINE | ID: mdl-9999973
9.
Local-density-functional calculation of photoelectron spectra of fullerenes.
Mintmire JW; Dunlap BI; Brenner DW; Mowrey RC; White CT.
Phys Rev B Condens Matter ; 43(17): 14281-14284, 1991 Jun 15.
Article in English | MEDLINE | ID: mdl-9997310
10.
Local-density-functional total energy gradients in the linear combination of Gaussian-type orbitals method.
Dunlap BI; Andzelm J; Mintmire JW.
Phys Rev A ; 42(11): 6354-6359, 1990 Dec 01.
Article in English | MEDLINE | ID: mdl-9903933
11.
Linear combination of Gaussian-type orbitals-local-density-functional cluster studies of D-D interactions in titanium and palladium.
Dunlap BI; Brenner DW; Mowrey RC; Mintmire JW; White CT.
Phys Rev B Condens Matter ; 41(14): 9683-9687, 1990 May 15.
Article in English | MEDLINE | ID: mdl-9993340
12.
Comment on "Ground state of trans-polyacetylene and the Peierls mechanism"
Mintmire JW; White CT.
Phys Rev Lett ; 63(22): 2532, 1989 Nov 27.
Article in English | MEDLINE | ID: mdl-10040912
13.
Conformational effects in organopolysilanes: A first-principles approach.
Mintmire JW.
Phys Rev B Condens Matter ; 39(18): 13350-13357, 1989 Jun 15.
Article in English | MEDLINE | ID: mdl-9948238
14.
Photoelectron spectra from local-density-functional calculations: Application to chain polymers.
Mintmire JW; Kutzler FW; White CT.
Phys Rev B Condens Matter ; 36(6): 3312-3318, 1987 Aug 15.
Article in English | MEDLINE | ID: mdl-9943243
15.
Local-density-functional results for the dimerization of trans-polyacetylene: Relationship to the band-gap problem.
Mintmire JW; White CT.
Phys Rev B Condens Matter ; 35(8): 4180-4183, 1987 Mar 15.
Article in English | MEDLINE | ID: mdl-9941965
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