Inventaire - teman dan komunitas anda adalah perpustakaan terbaik - Inventaire

Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

diterbitkan dalam: Journal of Molecular Modeling

tanggal publikasi: 2007-09-09

Cites articles 11

Date

Judul

Pengarang

2007-04-01

A PM3/d specific reaction parameterization for iron atom in the hydrogen abstraction catalyzed by soybean lipoxygenase-1

José M Lluch, Àngels González-Lafont
2006-07-01

RM1: a reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I

Gerd B Rocha, Ricardo O Freire
2006-09-01

Can the semiempirical PM3 scheme describe iron-containing bioinorganic molecules?
2005-11-17

Specific parametrisation of a hybrid potential to simulate reactions in phosphatases.

Guilherme Menegon Arantes
2005-08-19

AM1* parameters for aluminum, silicon, titanium and zirconium.

Timothy Clark
2005-11-01

A Semiempirical Quantum Model for Hydrogen-Bonded Nucleic Acid Base Pairs.

Christopher Cramer, Darrin M York, Edward C Sherer
2004-04

Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elements
2003-12-04

Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation
2002-05-29

The Cambridge Structural Database: a quarter of a million crystal structures and rising

Frank Allen
1992-09-01

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

Koblar Alan Jackson, Carlos Fiolhais, John Perdew
1988-01-15

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Robert Parr, Weitao Yang

Artikel - wd:Q29542571

Selamat datang di Inventaire

perpustakaan teman-teman dan komunitas anda

pelajari lebih lanjut

anda sedang luring