About: Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system.

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About: Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system. Goto Sponge NotDistinct Permalink

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scientific article published in August 2007

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rdf:type	Item
description	videnskabelig artikel (da) article científic (ca) article scientific (oc) articol științific (ro) articolo scientifico (it) artigo científico (gl) artigo científico (pt) artigo científico (pt-br) artikull shkencor (sq) artikulong pang-agham (tl) artykuł naukowy (pl) artículu científicu (ast) bilimsel makale (tr) scienca artikolo (eo) teaduslik artikkel (et) tieteellinen artikkeli (fi) tudományos cikk (hu) vedecký článok (sk) vetenskaplig artikel (sv) vitenskapelig artikkel (nb) vitskapeleg artikkel (nn) vědecký článek (cs) wetenschappelijk artikel (nl) wissenschaftlicher Artikel (de) επιστημονικό άρθρο (el) научна статия (bg) научная статья (ru) научни чланак (sr) מאמר מדעי (he) სამეცნიერო სტატია (ka) บทความทางวิทยาศาสตร์ (th) artikel ilmiah (id) bài báo khoa học (vi) naučni članak (sr-el) мақолаи илмӣ (tg-cyrl) научни чланак (sr-ec) article scientifique (fr) 2007 nî lūn-bûn (nan) 2007年の論文 (ja) 2007년 논문 (ko) artículo científico publicado en 2007 (es) наукова стаття, опублікована в серпні 2007 (uk) 2007年学术文章 (zh-cn) 2007年学术文章 (zh-sg) 2007年学术文章 (zh-hans) 2007年学术文章 (wuu) 2007年学术文章 (zh-my) 2007年學術文章 (zh-hk) 2007年學術文章 (zh-tw) 2007年學術文章 (zh-hant) 2007年學術文章 (yue) 2007年學術文章 (zh-mo) scientific article published in August 2007 (en) scientific article published in August 2007 (en-ca) scientific article published in August 2007 (en-gb) 2007年学术文章 (zh) আগস্ট ২০০৭-এ প্রকাশিত বৈজ্ঞানিক নিবন্ধ (bn) مقالة علمية نشرت في أغسطس 2007 (ar)
publication date	wds:Q50085840-D1E792BD-CE16-45E4-BCA9-66A9A4F8DB09
publication date	2007-08-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q50085840-8C58DAEC-64D5-4CBB-82D9-2C61CFA8557B
language of work or name	English
cites work	wds:Q50085840-1F3855A6-A169-4CEC-AC01-CD3796BF0EC9 wds:Q50085840-2FF7ED60-CD03-49FE-9AAC-AF7BC764C549 wds:Q50085840-48E1734E-7CF4-4B61-8DA9-6BD25AA4EC59 wds:Q50085840-6C9047B2-2388-4E3C-890F-AD75F2760FE7 wds:Q50085840-7C0A152A-CB80-4226-954E-472793F75BF2 wds:Q50085840-7D79C3E5-779D-42A3-AC35-CAD624992C52 wds:Q50085840-83783E91-111A-4A63-9970-C9FAA85AE235 wds:Q50085840-9FB1E0D1-7977-416E-91C1-0601FC1CDCAA wds:Q50085840-C3812B9B-D0CC-4562-821D-F29AE545ED55 wds:Q50085840-CE4E344D-224A-4E1D-ACB2-E571CBB76D89 wds:Q50085840-D07402D8-8B71-4229-BAD6-95DE4309A89E wds:Q50085840-E1E88386-1226-4296-B75A-C5657BF961F7 wds:Q50085840-E42FE036-A611-44EB-B004-BE1CA0271FFB wds:Q50085840-F58D31FC-E07C-4294-844D-6E32E8825A3C
cites work	Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density VMD: visual molecular dynamics Generalized Gradient Approximation Made Simple Unified Approach for Molecular Dynamics and Density-Functional Theory Inhomogeneous Electron Gas Self-Consistent Equations Including Exchange and Correlation Effects Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients Coherent low-frequency motions of hydrogen bonded acetic acid dimers in the liquid phase. Canonical dynamics: Equilibrium phase-space distributions Efficient molecular dynamics and hybrid Monte Carlo algorithms for path integrals Proton circuits in biological energy interconversions Chemical reaction rates from ring polymer molecular dynamics. Toward understanding mobile proton behavior from first principles calculation: the short hydrogen bond in crystalline urea-phosphoric acid
author name string	wds:Q50085840-930C3023-4873-4CCD-BB32-5C8BCA3ADF38
author name string	Carole A Morrison
rdfs:label	Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system. (en) Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system. (nl)
skos:prefLabel	Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system. (en) Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system. (nl)
name	Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system. (en) Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system. (nl)
author	wds:Q50085840-2A1D1BCD-3F2A-4178-955D-C5F06365E98A

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