✦ LIBER ✦

Interaction-induced electric properties and cooperative effects in model systems

✍ Scribed by Baranowska, Angelika ;Zawada, Agnieszka ;Fernández, Berta ;Bartkowiak, Wojciech ;Kędziera, Dariusz ;Kaczmarek-Kędziera, Anna

Book ID: 120996872
Publisher: Royal Society of Chemistry
Year: 2010
Tongue: English
Weight: 628 KB
Volume: 12
Category: Article
ISSN: 1463-9076
DOI: 10.1039/B916993H

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Importance of electron correlation effec

Importance of electron correlation effects and basis set superposition error in calculations of interaction energies and interaction-induced electric properties in hydrogen-bonded complexes: a model study

✍ Angelika Baranowska; Berta Fernández; Andrzej J. Sadlej 📂 Article 📅 2010 🏛 Springer 🌐 English ⚖ 232 KB

How does the Boys and Bernardi counterpo

How does the Boys and Bernardi counterpoise correction scheme affects the calculated interaction-induced electric properties? Model hydrogen-bonded systems as a case study

✍ Roztoczyńska, A.; Kaczmarek-Kędziera, A.; Góra, R.W.; Bartkowiak, W. 📂 Article 📅 2013 🏛 Elsevier Science 🌐 English ⚖ 485 KB

Does the spatial confinement influence t

Does the spatial confinement influence the electric properties and cooperative effects of the hydrogen bonded systems? HCN chains as a case study

✍ Roztoczyńska, Agnieszka; Kozłowska, Justyna; Lipkowski, Paweł; Bartkowiak, Wojci 📂 Article 📅 2014 🏛 Elsevier Science 🌐 English ⚖ 520 KB

Effect of chemical interactions in the m

Effect of chemical interactions in the metal–F system on the electric properties of fluoroelastomers

✍ Valentin V. Kochervinskii 📂 Article 📅 2006 🏛 Royal Society of Chemistry 🌐 English ⚖ 377 KB

Medium effects on the properties of chem

Medium effects on the properties of chemical systems: Electric and magnetic response of donor–acceptor systems within the polarizable continuum model

✍ B. Mennucci; R. Cammi; J. Tomasi 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 369 KB 👁 2 views

acceptor groups but have different structures. The analysis of medium effects on these and some other related molecules is here centered on water as solvent. Different Ž . computational approaches are exploited: CPHF and SOS for hyper polarizabilities, GIAO and LORG for magnetic shieldings, and GIAO

New basis sets for the evaluation of int

New basis sets for the evaluation of interaction-induced electric properties in hydrogen-bonded complexes

✍ Angelika Baranowska-Łączkowska; Berta Fernández; Robert Zaleśny 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 English ⚖ 387 KB