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Research article

First published 2007-1

Semiempirical molecular orbital study of glycine solvation and of binding calcium carbonate on glycine polypeptides

A. Chrissanthopoulos, E. Dalas

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 1999-3

Vilsmeier Reaction on Carbazole: Theoretical and Experimental Aspects †

Gourab Kanti Das, Bijali Choudhury, Kalpita Das [...]

Journal of Chemical Research

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Other

First published 2003-4

AM1 Study of the Conformational Properties of Bicyclo[3.3.3]Undecane and its N -Bridgehead Derivatives †

Javad Azizian, Hossain Fallah-Bagher-Shaidaei, Hassan Kefayati

Journal of Chemical Research

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Research article

First published 1998-11

“Edge” or “Vertex” Inversion at Phosphorus in the cis – trans Isomerization of Diazadiphosphetidines? Model MNDO and ab initio Molecular Orbital Calculations

Ioan Silaghi-Dumitrescu, Francisco Lara-Ochoa, Ionel Haiduc

Main Group Chemistry

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Research article

First published 1994-1

Spectroscopy of p -Methoxybenzoic Acid: An AM1 and ab Initio Study

M. Alcolea Palafox, M. Gil, J. L. Núñez

Applied Spectroscopy

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Research article

First published 2006-1

Polarizability functions of heteronuclear diatomic molecules: Semiempirical approach

M.A. Buldakov, V.N. Cherepanov, N.S. Nagornova

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2004-8

Polarizability functions of diatomic homonuclear molecules: Semiempirical approach

M.A. Buldakov, V.N. Cherepanov

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2003-5

Determination of all pK a Values of Some di- and Tri-Carboxylic Unsaturated and Epoxy Acids and Their Polylinear Correlation with the Carboxylic Group Atomic Charges

L. Pfendt, B. Drazić, G. Popović [...]

Journal of Chemical Research

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Research article

First published 1999-12

Molecular Design of Rigid-Chain Polyheteroarylenes and the Effect of Substituents at the Central Heterocyclic Fragment on the Polyheteroarylene Equilibrium Rigidity

Inga A Ronova, Igor I Ponomarev, Andrey Yu Kovalevsky [...]

High Performance Polymers

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Research article

First published 1990-10

Investigation of the Dissociation Process of the Inhibitor Methotrexate from the Methotrexate-Lactobacillus Casei Dihydrofolate Reductase Complex by Using Molecular Dynamics and Semiempirical Molecular Orbital Methods

Jia-Lin Syi, Rick Gussio, Jih-Hsiang Chen

Therapeutic Innovation & Regulatory Science

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