화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 A Combined Experimental and Theoretical Study of the Ti-2 + N2O Reaction
Marzouk A, Bolvin H, Reinhardt P, Manceron L, Perchard JP, Tremblay B, Alikhani ME
Journal of Physical Chemistry A, 118(3), 561, 2014
2 Short range DFT combined with long-range local RPA within a range-separated hybrid DFT framework
Chermak E, Mussard B, Angyan JG, Reinhardt P
Chemical Physics Letters, 550, 162, 2012
3 Examinations for the use of a particle filter system in the operation of a diesel engine with rapemethylester and rape oil
Hofmann U, Reinhardt P, Evtimova M
Chemie Ingenieur Technik, 78(6), 709, 2006
4 An interesting property of the Perdew-Wang 91 density functional
Langlet J, Berges J, Reinhardt P
Chemical Physics Letters, 396(1-3), 10, 2004
5 The decomposition of intermolecular interaction energies in localized orbitals - critical analysis and an invariance
Reinhardt P
Chemical Physics Letters, 370(3-4), 338, 2003
6 Comparison of two ways to decompose intermolecular interactions for hydrogen-bonded dimer systems
Langlet J, Caillet J, Berges J, Reinhardt P
Journal of Chemical Physics, 118(14), 6157, 2003
7 The structural relaxation of the alpha-Al2O3(0001) - an investigation of potential errors
Gomes JRB, Moreira IDR, Reinhardt P, Wander A, Searle BG, Harrison NM, Illas F
Chemical Physics Letters, 341(5-6), 412, 2001
8 Detailed ab-initio analysis of the magnetic coupling in CuF2
Reinhardt P, Moreira IDR, de Graaf C, Dovesi R, Illas F
Chemical Physics Letters, 319(5-6), 625, 2000
9 Correlation energies obtained from symmetry-adapted versus symmetry-broken Hartree-Fock solutions in a model delocalized one-dimensional system
Reinhardt P, Malrieu JP
Journal of Chemical Physics, 110(2), 755, 1999
10 On the perturbative estimates of the correlation energy from localized orbitals in periodic systems
Reinhardt P, Malrieu JP
Journal of Chemical Physics, 109(17), 7632, 1998