about
Extension of the PDDG/PM3 Semiempirical Molecular Orbital Method to Sulfur, Silicon, and Phosphorus.Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials.Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase.Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties.Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Theory, Implementation, and Parameters.EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions.A genetic algorithm encoded with the structural information of amino acids and dipeptides for efficient conformational searches of oligopeptides.Significant Improvement of Dye-Sensitized Solar Cell Performance by Small Structural Modification in π-Conjugated Donor-Acceptor DyesNatural bond orbital, nuclear magnetic resonance analysis and hybrid-density functional theory study of σ-aromaticity in Al2F6, Al2Cl6, Al2Br6 and Al2I6AM1* parameters for palladium and silver
P2860
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P2860
description
2003 nî lūn-bûn
@nan
2003 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
AM1* parameters for phosphorus, sulfur and chlorine
@ast
AM1* parameters for phosphorus, sulfur and chlorine
@de
AM1* parameters for phosphorus, sulfur and chlorine
@en
AM1* parameters for phosphorus, sulfur and chlorine
@nl
type
label
AM1* parameters for phosphorus, sulfur and chlorine
@ast
AM1* parameters for phosphorus, sulfur and chlorine
@de
AM1* parameters for phosphorus, sulfur and chlorine
@en
AM1* parameters for phosphorus, sulfur and chlorine
@nl
prefLabel
AM1* parameters for phosphorus, sulfur and chlorine
@ast
AM1* parameters for phosphorus, sulfur and chlorine
@de
AM1* parameters for phosphorus, sulfur and chlorine
@en
AM1* parameters for phosphorus, sulfur and chlorine
@nl
P2093
P1476
AM1* parameters for phosphorus, sulfur and chlorine
@en
P2093
Bodo Martin
Cenk Selçuki
Paul Winget
Timothy Clark
P2888
P304
P356
10.1007/S00894-003-0156-7
P407
P577
2003-09-04T00:00:00Z
P6179
1004369577