✦ LIBER ✦

An Atomistic Modeling and Quantum Mechanical Approach to the Hydrolytic Degradation of Aliphatic Polyesters

✍ Scribed by Entrialgo-Castaño, María; Salvucci, Anthony E.; Lendlein, Andreas; Hofmann, Dieter

Book ID: 120206873
Publisher: John Wiley and Sons
Year: 2008
Tongue: English
Weight: 661 KB
Volume: 269
Category: Article
ISSN: 1022-1360
DOI: 10.1002/masy.200850908

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Implementation of a quantum mechanics/mo

Implementation of a quantum mechanics/molecular mechanics approach in the parallel density functional program ParaGauss and applications to model copper thiolate clusters

✍ T. Kerdcharoen; U. Birkenheuer; S. Krüger; A. Woiterski; N. Rösch 📂 Article 📅 2003 🏛 Springer 🌐 English ⚖ 323 KB

Effective modeling of intrinsic and envi

Effective modeling of intrinsic and environmental effects on the structure and electron plaramagnetic resonance parameters of nitroxides by an integrated quantum mechanical/molecular mechanics/polarizable continuum model approach

✍ R. Improta; A. di Matteo; V. Barone 📂 Article 📅 2000 🏛 Springer 🌐 English ⚖ 124 KB

Dispersion and repulsion contributions t

Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model

✍ Carles Curutchet; Modesto Orozco; F. Javier Luque; Benedetta Mennucci; Jacopo To 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 262 KB 👁 1 views

## Abstract We report a systematic comparison of the dispersion and repulsion contributions to the free energy of solvation determined using quantum mechanical self‐consistent reaction field (QM‐SCRF) and classical methods. In particular, QM‐SCRF computations have been performed using the dispersio

An energy ‘sources’ and ‘fractions’ appr

An energy ‘sources’ and ‘fractions’ approach to the mechanical energy expenditure problem—II. Movement of the multi-link chain model

✍ Sergei Yu. Aleshinsky 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 536 KB

Synthesis and cationic ring-opening poly

Synthesis and cationic ring-opening polymerization of mono- and bifunctional spiro orthoesters containing ester groups and depolymerization of the obtained polymers: An approach to chemical recycling for polyesters as a model system

✍ Kiyoko Yoshida; Fumio Sanda; Takeshi Endo 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 167 KB 👁 3 views

A spiro orthoester having an ester moiety, 2-acetoxymethyl-1,4,6trioxaspiro[4.6]undecane (4) was synthesized, and its cationic polymerization and depolymerization of the obtained polymer (5) were carried out. The monomer 4 underwent cationic polymerization with a cationic catalyst to afford the corr

An energy ‘sources’ and ‘fractions’ appr

An energy ‘sources’ and ‘fractions’ approach to the mechanical energy expenditure problem—I. Basic concepts, description of the model, analysis of a one-link system movement

✍ Sergei Yu. Aleshinsky 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 718 KB