乐胖代购免代理版

{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,9,12]],"date-time":"2024-09-12T21:23:24Z","timestamp":1726176204326},"reference-count":18,"publisher":"Elsevier BV","issue":"2","license":[{"start":{"date-parts":[[2007,1,1]],"date-time":"2007-01-01T00:00:00Z","timestamp":1167609600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Journal of Computational Physics"],"published-print":{"date-parts":[[2007,1]]},"DOI":"10.1016\/j.jcp.2006.05.032","type":"journal-article","created":{"date-parts":[[2006,10,25]],"date-time":"2006-10-25T15:29:34Z","timestamp":1161790174000},"page":"740-750","source":"Crossref","is-referenced-by-count":88,"title":["P-SHAKE: A quadratically convergent SHAKE in"],"prefix":"10.1016","volume":"220","author":[{"given":"Pedro","family":"Gonnet","sequence":"first","affiliation":[]}],"member":"78","reference":[{"issue":"1","key":"10.1016\/j.jcp.2006.05.032_bib1","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1016\/0021-9991(83)90014-1","article-title":"RATTLE \u2013 a velocity version of the shake algorithm for molecular-dynamics calculations","volume":"52","author":"Andersen","year":"1983","journal-title":"J. Comput. Phys."},{"issue":"10","key":"10.1016\/j.jcp.2006.05.032_bib2","doi-asserted-by":"crossref","first-page":"1192","DOI":"10.1002\/jcc.540161003","article-title":"Algorithms for constrained molecular dynamics","volume":"16","author":"Barth","year":"1995","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.jcp.2006.05.032_bib3","doi-asserted-by":"crossref","first-page":"6269","DOI":"10.1021\/j100308a038","article-title":"The missing term in effective pair potentials","volume":"91","author":"Berendsen","year":"1987","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.jcp.2006.05.032_bib4","series-title":"Maple V Language Reference Manual","author":"Char","year":"1991"},{"key":"10.1016\/j.jcp.2006.05.032_bib5","doi-asserted-by":"crossref","first-page":"345","DOI":"10.1016\/0167-7977(86)90022-5","article-title":"Molecular dynamics simulation of rigid molecules","volume":"4","author":"Ciccotti","year":"1986","journal-title":"Computer Physics Reports"},{"key":"10.1016\/j.jcp.2006.05.032_bib6","doi-asserted-by":"crossref","first-page":"5179","DOI":"10.1021\/ja00124a002","article-title":"A second generation force field for the simulation of proteins, nucleic acids, and organic molecules","volume":"117","author":"Cornell","year":"1995","journal-title":"J. Am. Chem. Soc."},{"issue":"10","key":"10.1016\/j.jcp.2006.05.032_bib7","doi-asserted-by":"crossref","first-page":"1009","DOI":"10.1002\/(SICI)1096-987X(19990730)20:10<1009::AID-JCC3>3.0.CO;2-C","article-title":"Automatic parameterization of force fields for liquids by simplex optimization","volume":"20","author":"Faller","year":"1999","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.jcp.2006.05.032_bib8","series-title":"Numerical linear algebra and optimization","author":"Gill","year":"1991"},{"key":"10.1016\/j.jcp.2006.05.032_bib9","series-title":"Matrix Computations","author":"Golub","year":"1983"},{"issue":"12","key":"10.1016\/j.jcp.2006.05.032_bib10","doi-asserted-by":"crossref","first-page":"1463","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H","article-title":"LINCS: A linear constraint solver for molecular simulations","volume":"18","author":"Hess","year":"1997","journal-title":"J. Comput. Chem."},{"issue":"5","key":"10.1016\/j.jcp.2006.05.032_bib11","doi-asserted-by":"crossref","first-page":"501","DOI":"10.1002\/1096-987X(20010415)22:5<501::AID-JCC1021>3.0.CO;2-V","article-title":"A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations","volume":"22","author":"Kr\u00e4utler","year":"2001","journal-title":"J. Comput. Chem."},{"issue":"2","key":"10.1016\/j.jcp.2006.05.032_bib12","doi-asserted-by":"crossref","first-page":"473","DOI":"10.1016\/0021-9991(89)90160-5","article-title":"A modified SHAKE algorithm for maintaining rigid bonds in moleculardynamics simulations of large molecules","volume":"85","author":"Lambrakos","year":"1989","journal-title":"J. Comput. Phys."},{"issue":"1","key":"10.1016\/j.jcp.2006.05.032_bib13","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1016\/j.jcp.2005.04.006","article-title":"A new constrained molecular dynamics algorithm in cartesian coordinates","volume":"210","author":"Lee","year":"2005","journal-title":"J. Comput. Phys."},{"issue":"15","key":"10.1016\/j.jcp.2006.05.032_bib14","doi-asserted-by":"crossref","first-page":"4363","DOI":"10.1021\/ja00120a018","article-title":"A force-field for liquid dimethyl-sulfoxide and physical-properties of liquid dimethylsulfoxide calculated using molecular-dynamics simulation","volume":"117","author":"Liu","year":"1995","journal-title":"J. Am. Chem. Soc."},{"issue":"8","key":"10.1016\/j.jcp.2006.05.032_bib15","doi-asserted-by":"crossref","first-page":"952","DOI":"10.1002\/jcc.540130805","article-title":"SETTLE: An analytical version of the SHAKE and RATTLE algorithm for rigid water models","volume":"13","author":"Miyamoto","year":"1992","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.jcp.2006.05.032_bib16","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/0021-9991(77)90098-5","article-title":"Numerical integration of the cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes","volume":"23","author":"Ryckaert","year":"1977","journal-title":"J. Comput. Phys."},{"key":"10.1016\/j.jcp.2006.05.032_bib17","doi-asserted-by":"crossref","first-page":"381","DOI":"10.1080\/00268979400101331","article-title":"A molecular dynamics simulation study of chloroform","volume":"83","author":"Tironi","year":"1994","journal-title":"Mol. Phys."},{"key":"10.1016\/j.jcp.2006.05.032_bib18","doi-asserted-by":"crossref","first-page":"1345","DOI":"10.1021\/jp0268112","article-title":"On the water-graphite interaction for use in MD simulations of graphite and carbon nanotubes","volume":"107","author":"Werder","year":"2003","journal-title":"J. Phys. Chem. B"}],"container-title":["Journal of Computational Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0021999106002579?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0021999106002579?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2019,1,11]],"date-time":"2019-01-11T23:55:33Z","timestamp":1547250933000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0021999106002579"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2007,1]]},"references-count":18,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2007,1]]}},"alternative-id":["S0021999106002579"],"URL":"https:\/\/doi.org\/10.1016\/j.jcp.2006.05.032","relation":{},"ISSN":["0021-9991"],"issn-type":[{"value":"0021-9991","type":"print"}],"subject":[],"published":{"date-parts":[[2007,1]]}}}