molecular mechanics - Globe Thesis

Keyword [molecular mechanics] Result: 81 - 96 \| Page: 5 of 5
81.	Structural characterization of N-acetyl-2-aminofluorene and its guanine and deoxyguanosine adducts via a molecular mechanics, semi-empirical, and density functional theory cascade method
82.	Investigating chemical reactions using computer simulations
83.	Mechanism of NAD(P)H:quinone reductase: Ab initio studies of reduced flavin and combine ab initio and molecular mechanics analysis of the hydride transfer
84.	Parameterization of molecular mechanics (MM4) for large biological systems: Small peptides - emphasis on protein modeling, Alkylphosphines - emphasis on DNA structure
85.	Sampling the potential energy surface of a DNA duplex damaged by a food carcinogen: Force field parameterization by ab initio quantum calculations and conformational searching using molecular mechanics computations
86.	Molecular mechanics and ab initio simulations of silicon (111) surface reconstructions, semiconductors and semiconductor superlattices, hydrogen abstraction for nanotechnology, polysilane, and growth of CVD diamond
87.	THE INVESTIGATION OF ORGANIC REACTION MECHANISMS WITH MOLECULAR MECHANICS (ALDOL, LITHIUM-AMMONIA)
88.	Multiresolution molecular mechanics: Dynamics, adaptivity, and implementation
89.	On the derivation of accurate force field parameters for molecular mechanics simulations
90.	Development of Polarizable Methods for Molecular Mechanics Simulations
91.	Roles Of Conical Intersection Of Potential Energy Surfaces In Several Important Photochemical Reactions
92.	Theoretical Studies On The Structures And Spectra Of DNA-ligands And Bases In Condensed Phase
93.	Toxicity Prediction Of Organophosphates And Molecular Simulation Of Their Interaction Mechanisms With AChE
94.	The Effect Of Molecular Interaction On The Luminescence Properties Of Thermally Activated Delayed Fluorescence Molecules
95.	Micromechanical Measurements Of Three Types Of Nanofibers Based On CsgA
96.	Study On Single Molecular Mechanics Properties Of Polyacrylamide
<<First <Prev Next> Last>> Jump to