화학공학소재연구정보센터
검색결과 : 18건
No. Article
1 Longitudinal polarizability of carbon nanotubes
Brothers EN, Scuseria GE, Kudin KN
Journal of Physical Chemistry B, 110(26), 12860, 2006
2 Effects of lanthanide dopants on oxygen diffusion in yttria-stabilized zirconia
Krishnamurthy R, Srolovitz DJ, Kudin KN, Car R
Journal of the American Ceramic Society, 88(8), 2143, 2005
3 A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems
Yazyev OV, Brothers EN, Kudin KN, Scuseria GE
Journal of Chemical Physics, 121(6), 2466, 2004
4 Revisiting infinite lattice sums with the periodic fast multipole method
Kudin KN, Scuseria GE
Journal of Chemical Physics, 121(7), 2886, 2004
5 Structural models of fluorine-graphite intercalation compounds from density functional theory
Bettinger HF, Kudin KN, Scuseria GE
Journal of Physical Chemistry A, 108(15), 3016, 2004
6 Single wall carbon nanotubes density of states: comparison of experiment and theory
Avramov PV, Kudin KN, Scuseria GE
Chemical Physics Letters, 370(5-6), 597, 2003
7 Quadratically convergent algorithm for fractional occupation numbers in density functional theory
Cances E, Kudin KN, Scuseria GE, Turinici G
Journal of Chemical Physics, 118(12), 5364, 2003
8 A black-box self-consistent field convergence algorithm: One step closer
Kudin KN, Scuseria GE, Cances E
Journal of Chemical Physics, 116(19), 8255, 2002
9 Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions
Improta R, Kudin KN, Scuseria GE, Barone V
Journal of the American Chemical Society, 124(1), 113, 2002
10 The conformational behavior of polyglycine as predicted by a density functional model with periodic boundary conditions
Improta R, Barone V, Kudin KN, Scuseria GE
Journal of Chemical Physics, 114(6), 2541, 2001