{"_id":"6XDkE9sL9mYtNLmZr","bibbaseid":"iii-hodoscek-gilbert-gill-iii-brooks-interfacingqchemandcharmmtoperformqmmmreactionpathcalculations-2007","author_short":["III, H. L. W.","Hodoscek, M.","Gilbert, A. T. B.","Gill, P. M. W.","III, H. F. S.","Brooks, B. R."],"bibdata":{"bibtype":"article","type":"article","added-at":"2020-05-30T00:00:00.000+0200","author":[{"propositions":[],"lastnames":["III"],"firstnames":["H.","Lee","Woodcock"],"suffixes":[]},{"propositions":[],"lastnames":["Hodoscek"],"firstnames":["Milan"],"suffixes":[]},{"propositions":[],"lastnames":["Gilbert"],"firstnames":["Andrew","T.","B."],"suffixes":[]},{"propositions":[],"lastnames":["Gill"],"firstnames":["Peter","M.","W."],"suffixes":[]},{"propositions":[],"lastnames":["III"],"firstnames":["Henry","F.","Schaefer"],"suffixes":[]},{"propositions":[],"lastnames":["Brooks"],"firstnames":["Bernard","R."],"suffixes":[]}],"biburl":"https://www.bibsonomy.org/bibtex/2bdf219d4e104927af3741ba5fd6e67a9/dblp","ee":"https://www.wikidata.org/entity/Q79864597","interhash":"40f5dc4206fbdd2d395ffd2bf42f0c39","intrahash":"bdf219d4e104927af3741ba5fd6e67a9","journal":"J. Comput. Chem.","keywords":"dblp","number":"9","pages":"1485-1502","timestamp":"2020-06-02T11:43:49.000+0200","title":"Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations.","url":"http://dblp.uni-trier.de/db/journals/jcc/jcc28.html#WoodcockHGGSB07","volume":"28","year":"2007","bibtex":"@article{journals/jcc/WoodcockHGGSB07,\n added-at = {2020-05-30T00:00:00.000+0200},\n author = {III, H. Lee Woodcock and Hodoscek, Milan and Gilbert, Andrew T. B. and Gill, Peter M. W. and III, Henry F. Schaefer and Brooks, Bernard R.},\n biburl = {https://www.bibsonomy.org/bibtex/2bdf219d4e104927af3741ba5fd6e67a9/dblp},\n ee = {https://www.wikidata.org/entity/Q79864597},\n interhash = {40f5dc4206fbdd2d395ffd2bf42f0c39},\n intrahash = {bdf219d4e104927af3741ba5fd6e67a9},\n journal = {J. Comput. Chem.},\n keywords = {dblp},\n number = 9,\n pages = {1485-1502},\n timestamp = {2020-06-02T11:43:49.000+0200},\n title = {Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations.},\n url = {http://dblp.uni-trier.de/db/journals/jcc/jcc28.html#WoodcockHGGSB07},\n volume = 28,\n year = 2007\n}\n\n","author_short":["III, H. L. W.","Hodoscek, M.","Gilbert, A. T. B.","Gill, P. M. W.","III, H. F. S.","Brooks, B. R."],"key":"journals/jcc/WoodcockHGGSB07","id":"journals/jcc/WoodcockHGGSB07","bibbaseid":"iii-hodoscek-gilbert-gill-iii-brooks-interfacingqchemandcharmmtoperformqmmmreactionpathcalculations-2007","role":"author","urls":{"Link":"https://www.wikidata.org/entity/Q79864597","Paper":"http://dblp.uni-trier.de/db/journals/jcc/jcc28.html#WoodcockHGGSB07"},"keyword":["dblp"],"metadata":{"authorlinks":{}},"html":""},"bibtype":"article","biburl":"http://www.bibsonomy.org/bib/author/gilbert?items=1000","dataSources":["KeJ3EHFpWxHWZPCgC"],"keywords":["dblp"],"search_terms":["interfacing","chem","charmm","perform","reaction","path","calculations","iii","hodoscek","gilbert","gill","iii","brooks"],"title":"Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations.","year":2007}