화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 Substituent Effect on the Photoreduction Kinetics of Benzophenone
Demeter A, Horvath K, Boor K, Molnar L, Soos T, Lendvay G
Journal of Physical Chemistry A, 117(40), 10196, 2013
2 Accurate Benchmark Calculations on the Gas-Phase Basicities of Small Molecules
He X, Fusti-Molnar L, Merz KM
Journal of Physical Chemistry A, 113(37), 10096, 2009
3 Importance of Dispersion and Electron Correlation in ab Initio Protein Folding
He X, Fusti-Molnar L, Cui GL, Merz KM
Journal of Physical Chemistry B, 113(15), 5290, 2009
4 Guidance, navigation and control system for the Tethra unmanned underwater vehicle
Molnar L, Omerdic E, Toal D
International Journal of Control, 80(7), 1050, 2007
5 Interpolation density values on a cartesian grid: Improving the efficiency of Lebedev based numerical integration in Kohn-Sham density functional algorithms
Brown ST, Fusti-Molnar L, Kong J
Chemical Physics Letters, 418(4-6), 490, 2006
6 Dynamic analysis of silicone elastomers
Huba A, Molnar L, Czmerk A, Fischl T
Materials Science Forum, 473-474, 85, 2005
7 Parallel density functional theory energies using the Fourier transform Coulomb method
Baker J, Fusti-Molnar L, Pulay P
Journal of Physical Chemistry A, 108(15), 3040, 2004
8 New developments in the Fourier transform Coulomb method: Efficient and accurate localization of the filtered core functions and implementation of the Coulomb energy forces
Fusti-Molnar L
Journal of Chemical Physics, 119(21), 11080, 2003
9 Dynamic models of silicone rubbers based on the synthesis method
Huba A, Molnar L
Materials Science Forum, 414-4, 95, 2003
10 Accurate molecular integrals and energies using combined plane wave and Gaussian basis sets in molecular electronic structure theory
Fusti-Molnar L, Pulay P
Journal of Chemical Physics, 116(18), 7795, 2002