Pub Date : 2007-01-05DOI: 10.1002/9780470125922.CH1
F. Bickelhaupt, E. Baerends
{"title":"Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry","authors":"F. Bickelhaupt, E. Baerends","doi":"10.1002/9780470125922.CH1","DOIUrl":"https://doi.org/10.1002/9780470125922.CH1","url":null,"abstract":"","PeriodicalId":51148,"journal":{"name":"Reviews in Computational Chemistry","volume":"15 1","pages":"1-86"},"PeriodicalIF":0.0,"publicationDate":"2007-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/9780470125922.CH1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51147833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2007-01-05DOI: 10.1002/9780470125922.CH3
L. Curtiss, P. Redfern, D. Frurip
{"title":"Theoretical Methods for Computing Enthalpies of Formation of Gaseous Compounds","authors":"L. Curtiss, P. Redfern, D. Frurip","doi":"10.1002/9780470125922.CH3","DOIUrl":"https://doi.org/10.1002/9780470125922.CH3","url":null,"abstract":"","PeriodicalId":51148,"journal":{"name":"Reviews in Computational Chemistry","volume":"15 1","pages":"147-211"},"PeriodicalIF":0.0,"publicationDate":"2007-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/9780470125922.CH3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51147841","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2007-01-05DOI: 10.1002/9780470125908.CH4
A. Wallqvist, R. Mountain
{"title":"Molecular Models of Water: Derivation and Description","authors":"A. Wallqvist, R. Mountain","doi":"10.1002/9780470125908.CH4","DOIUrl":"https://doi.org/10.1002/9780470125908.CH4","url":null,"abstract":"","PeriodicalId":51148,"journal":{"name":"Reviews in Computational Chemistry","volume":"13 1","pages":"183-247"},"PeriodicalIF":0.0,"publicationDate":"2007-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/9780470125908.CH4","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51147797","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The Simulation of Ionic Charge Transport in Biological Ion Channels: An Introduction to Numerical Methods","authors":"M. Saraniti, S. Aboud, R. Eisenberg","doi":"10.1002/0471780367.CH4","DOIUrl":"https://doi.org/10.1002/0471780367.CH4","url":null,"abstract":"","PeriodicalId":51148,"journal":{"name":"Reviews in Computational Chemistry","volume":"61 4","pages":"229-293"},"PeriodicalIF":0.0,"publicationDate":"2006-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/0471780367.CH4","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"50960298","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
OUTLINE Introduction Formal representation of GRNs An example of a GRN: The Lac Operon Hierarchies of GRN models: From probabilistic graphs to mechanistic models A guide to databases and knowledgebases on the internet Pathway Databases & Platforms Ontologies for GRN modeling Current Gene, Interaction, and Pathway Ontologies Wholecell modeling platforms Ontology for modeling multiscale and incomplete networks An ontology for cellular processes The PATIKA pathway ontology Extracting Models from Pathways Databases Pathway and Dynamic Analysis Tools for GRNs Global network properties Recurring network motifs Identifying pathway channels in networks: extreme pathway analysis Network stability analysis 3 Predicting dynamics & bistability from network structure alone
{"title":"Data Sources and Computational Approaches for Generating Models of Gene Regulatory Networks","authors":"B. Aguda, Georghe Craciun, R. Cetin-Atalay","doi":"10.1002/0471720895.CH6","DOIUrl":"https://doi.org/10.1002/0471720895.CH6","url":null,"abstract":"OUTLINE Introduction Formal representation of GRNs An example of a GRN: The Lac Operon Hierarchies of GRN models: From probabilistic graphs to mechanistic models A guide to databases and knowledgebases on the internet Pathway Databases & Platforms Ontologies for GRN modeling Current Gene, Interaction, and Pathway Ontologies Wholecell modeling platforms Ontology for modeling multiscale and incomplete networks An ontology for cellular processes The PATIKA pathway ontology Extracting Models from Pathways Databases Pathway and Dynamic Analysis Tools for GRNs Global network properties Recurring network motifs Identifying pathway channels in networks: extreme pathway analysis Network stability analysis 3 Predicting dynamics & bistability from network structure alone","PeriodicalId":51148,"journal":{"name":"Reviews in Computational Chemistry","volume":"72 5","pages":"381-411"},"PeriodicalIF":0.0,"publicationDate":"2005-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/0471720895.CH6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"50956113","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"New Developments in the Theoretical Description of Charge‐Transfer Reactions in Condensed Phases","authors":"D. Matyushov, G. Voth","doi":"10.1002/0471433519.CH4","DOIUrl":"https://doi.org/10.1002/0471433519.CH4","url":null,"abstract":"","PeriodicalId":51148,"journal":{"name":"Reviews in Computational Chemistry","volume":"476 ","pages":"147-210"},"PeriodicalIF":0.0,"publicationDate":"2003-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/0471433519.CH4","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"50944894","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1996-01-01DOI: 10.1002/9780470125854.CH1
Z. Slanina, Shyi-Long Lee, C. Yu
{"title":"Computations in Treating Fullerenes and Carbon Aggregates","authors":"Z. Slanina, Shyi-Long Lee, C. Yu","doi":"10.1002/9780470125854.CH1","DOIUrl":"https://doi.org/10.1002/9780470125854.CH1","url":null,"abstract":"","PeriodicalId":51148,"journal":{"name":"Reviews in Computational Chemistry","volume":"1 1","pages":"1-62"},"PeriodicalIF":0.0,"publicationDate":"1996-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/9780470125854.CH1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51148133","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：