화학공학소재연구정보센터
검색결과 : 939건
No. Article
841 Linear Scaling Conjugate-Gradient Density-Matrix Search as an Alternative to Diagonalization for First Principles Electronic-Structure Calculations
Millam JM, Scuseria GE
Journal of Chemical Physics, 106(13), 5569, 1997
842 Direct Perturbation-Theory of Relativistic Effects for Explicitly Correlated Wave-Functions - The He Isoelectronic Series
Ottschofski E, Kutzelnigg W
Journal of Chemical Physics, 106(16), 6634, 1997
843 Ghost Levels and Near-Variational Forms of the Discrete Variable Representation - Application to H2O
Wei H
Journal of Chemical Physics, 106(17), 6885, 1997
844 Benchmark Quality Total Atomization Energies of Small Polyatomic-Molecules
Martin JM, Taylor PR
Journal of Chemical Physics, 106(20), 8620, 1997
845 Fast, Accurate Semiempirical Molecular-Orbital Calculations for Macromolecules
Dixon SL, Merz KM
Journal of Chemical Physics, 107(3), 879, 1997
846 Thermomechanical Properties of the Crystal Phase of Poly(Ethylene-Terephthalate) by Molecular Modeling
Rutledge GC
Macromolecules, 30(9), 2785, 1997
847 Episodic Adaptive Evolution of Primate Lysozymes
Messler W, Stewart CB
Nature, 385(6612), 151, 1997
848 A New Nonsmooth Equations Approach to Nonlinear Complementarity-Problems
Jiang HY, Qi LQ
SIAM Journal on Control and Optimization, 35(1), 178, 1997
849 A Predictor-Corrector Algorithm for a Class of Nonlinear Saddle-Point Problems
Sun J, Zhu JS, Zhao GY
SIAM Journal on Control and Optimization, 35(2), 532, 1997
850 Proximal Minimization Methods with Generalized Bregman Functions
Kiwiel KC
SIAM Journal on Control and Optimization, 35(4), 1142, 1997