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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41
has manifestation of work	http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41/issue_1/m/print http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41/issue_1/m/web
Date Copyrighted	2000 2001
Rights	Copyright © 2000 American Chemical Society Copyright © 2001 American Chemical Society
issue	1
Rights Holder	American Chemical Society
is Is Part Of of	A QSPR Study of the 31P NMR Chemical Shifts of Phosphines Nodeless Valence (Pseudo)spinors Spectral Moments of Phenylenes Benchmarking of Model Core Potentials: Application to the Halogen Complexes ofGroup 4 Metals High-Throughput Prediction of Blood−Brain Partitioning: A ThermodynamicApproach Determining the Number of Resonance Structures in Concealed Non-KekuléanBenzenoid Hydrocarbons Combined Pseudopotential and Density Functional Study of Bis-η6-benzene d and fElement Complexes Relativistic Pseudopotentional Incorporating Core/Valence Polarization and NonlocalEffects A Computational Study of the Effectiveness of the Frontier Molecular OrbitalFormalism in Predicting Conformational Isomerism in (p-RC6H4NC)2W(dppe)2 Formal Analysis of Effective Core Potential Methods Novel Chirality Descriptors Derived from Molecular Topology Use of 13C NMR Spectrometric Data To Produce a Predictive Model of EstrogenReceptor Binding Activity Computational Modeling of a Binding Conformation of the Intermediate l-Histidinal toHistidinol Dehydrogenase Spiral Codes and Goldberg Representations of Icosahedral Fullerenes and OctahedralAnalogues Applications of Effective Core Potentials and Density Functional Theory to the SpinStates of Iron Porphyrin Ties in Proximity and Clustering Compounds A Constant Time Algorithm for Estimating the Diversity of Large Chemical Libraries CheD: Chemical Database Compilation Tool, Internet Server, and Client for SQLServers Ab Initio Structure of the Active Site of Phosphotriesterase Recent Progress in Atomic and Chemical Group Effective Potentials QSAR Models Using a Large Diverse Set of Estrogens A Novel Method for Building Regression Tree Models for QSAR Based on Artificial AntColony Systems Results of a New Classification Algorithm Combining K Nearest Neighbors andRecursive Partitioning Algorithm for Naming Molecular Equivalence Classes Represented by LabeledPseudographs Solving Incomplete Inorganic Chemical Systems through a Fuzzy Knowledge Frame Modeling Intermolecular Effects on Nonlinear Optical Properties of Transition-MetalComplexes. An Effective Core Potential Study DFT/ECP Study of C−H Activation by (PCP)Ir and (PCP)Ir(H)2 (PCP =η3-1,3-C6H3(CH2PR2)2). Enthalpies and Free Energies of Associative and DissociativePathways Analysis of the Internal Representations Developed by Neural Networks for StructuresApplied to Quantitative Structure−Activity Relationship Studies of Benzodiazepines

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