{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T17:28:51Z","timestamp":1788370131947,"version":"build-2803163510"},"reference-count":61,"publisher":"Springer Science and Business Media LLC","issue":"9","license":[{"start":{"date-parts":[[2018,8,18]],"date-time":"2018-08-18T00:00:00Z","timestamp":1534550400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"funder":[{"name":"Department of Science and Technology, New Delhi, India"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["J Mol Model"],"published-print":{"date-parts":[[2018,9]]},"DOI":"10.1007\/s00894-018-3782-9","type":"journal-article","created":{"date-parts":[[2018,8,18]],"date-time":"2018-08-18T16:28:52Z","timestamp":1534609732000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":26,"title":["Density-functional study of hydrogen cyanide adsorption on silicene nanoribbons"],"prefix":"10.1007","volume":"24","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2455-5946","authenticated-orcid":false,"given":"Gurleen Kaur","family":"Walia","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Deep Kamal Kaur","family":"Randhawa","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2018,8,18]]},"reference":[{"key":"3782_CR1","doi-asserted-by":"publisher","first-page":"2994","DOI":"10.1002\/smll.201201224","volume":"8","author":"Q He","year":"2012","unstructured":"He Q, Zeng Z, Yin Z, Li H, Wu S, Huang X, Zhang H (2012) Small 8:2994","journal-title":"Small"},{"key":"3782_CR2","doi-asserted-by":"publisher","first-page":"4879","DOI":"10.1021\/nn400026u","volume":"7","author":"DJ Late","year":"2013","unstructured":"Late DJ, Huang Y-K, Liu B, Acharya J, Shirodkar SN, Luo J, Yan A, Charles D, Waghmare UV, Dravid VP (2013) ACS Nano 7:4879","journal-title":"ACS Nano"},{"key":"3782_CR3","doi-asserted-by":"publisher","first-page":"5209","DOI":"10.1038\/srep05209","volume":"4","author":"N Huo","year":"2014","unstructured":"Huo N, Yang S, Wei Z, Li S-S, Xia J-B, Li J (2014) Sci Rep 4:5209","journal-title":"Sci Rep"},{"key":"3782_CR4","doi-asserted-by":"publisher","first-page":"6","DOI":"10.1016\/j.cplett.2014.09.051","volume":"615","author":"M O\u2019Brien","year":"2014","unstructured":"O\u2019Brien M, Lee K, Morrish R, Berner NC, McEvoy N, Wolden CA, Duesberg GS (2014) Chem Phys Lett 615:6","journal-title":"Chem Phys Lett"},{"key":"3782_CR5","doi-asserted-by":"publisher","first-page":"2675","DOI":"10.1021\/jz501188k","volume":"5","author":"L Kou","year":"2014","unstructured":"Kou L, Frauenheim T, Chen C (2014) J Phys Chem Lett 5:2675","journal-title":"J Phys Chem Lett"},{"key":"3782_CR6","doi-asserted-by":"publisher","first-page":"5618","DOI":"10.1021\/acsnano.5b01961","volume":"9","author":"AN Abbas","year":"2015","unstructured":"Abbas AN, Liu B, Chen L, Ma Y, Cong S, Aroonyadet N, K\u00f6pf M, Nilges T, Zhou C (2015) ACS Nano 9:5618","journal-title":"ACS Nano"},{"key":"3782_CR7","doi-asserted-by":"publisher","first-page":"115","DOI":"10.1016\/j.spmi.2013.04.005","volume":"59","author":"AA Peyghan","year":"2013","unstructured":"Peyghan AA, Noei M, Yourdkhani S (2013) Superlattice Microst 59:115","journal-title":"Superlattice Microst"},{"key":"3782_CR8","doi-asserted-by":"publisher","first-page":"350","DOI":"10.1016\/j.spmi.2016.09.040","volume":"100","author":"F Behmagham","year":"2016","unstructured":"Behmagham F, Vessally E, Massoumi B, Hosseinian A, Edjlali L (2016) Superlattice Microst 100:350","journal-title":"Superlattice Microst"},{"key":"3782_CR9","doi-asserted-by":"publisher","first-page":"160","DOI":"10.1016\/j.spmi.2016.11.032","volume":"101","author":"V Nagarajan","year":"2017","unstructured":"Nagarajan V, Chandiramouli R (2017) Superlattice Microst 101:160","journal-title":"Superlattice Microst"},{"key":"3782_CR10","doi-asserted-by":"publisher","first-page":"113","DOI":"10.1021\/nl203065e","volume":"12","author":"Z Ni","year":"2012","unstructured":"Ni Z, Liu Q, Tang K, Zheng J, Zhou J, Qin R, Gao Z, Yu D, Lu J (2012) Nano Lett 12:113","journal-title":"Nano Lett"},{"key":"3782_CR11","doi-asserted-by":"publisher","first-page":"227","DOI":"10.1038\/nnano.2014.325","volume":"10","author":"L Tao","year":"2015","unstructured":"Tao L, Cinquanta E, Chiappe D, Grazianetti C, Fanciulli M, Dubey M, Molle A, Akinwande D (2015) Nat Nanotechnol 10:227","journal-title":"Nat Nanotechnol"},{"key":"3782_CR12","doi-asserted-by":"publisher","first-page":"1500","DOI":"10.1038\/ncomms2525","volume":"4","author":"WF Tsai","year":"2013","unstructured":"Tsai WF, Huang C-Y, Chang T-R, Lin H, Jeng H-T, Bansil A (2013) Nat Commun 4:1500","journal-title":"Nat Commun"},{"key":"3782_CR13","doi-asserted-by":"publisher","first-page":"103104","DOI":"10.1063\/1.4868123","volume":"104","author":"H Sadeghi","year":"2014","unstructured":"Sadeghi H, Bailey S, Lambert CJ (2014) Appl Phys Lett 104:103104","journal-title":"Appl Phys Lett"},{"key":"3782_CR14","doi-asserted-by":"publisher","first-page":"257","DOI":"10.1039\/C1CP22719J","volume":"14","author":"N Gao","year":"2012","unstructured":"Gao N, Zheng WT, Jiang Q (2012) Phys Chem Chem Phys 14:257","journal-title":"Phys Chem Chem Phys"},{"key":"3782_CR15","doi-asserted-by":"publisher","first-page":"18788","DOI":"10.1021\/jp5060809","volume":"118","author":"A Lopez-Bezanilla","year":"2014","unstructured":"Lopez-Bezanilla A (2014) J Phys Chem C 118:18788","journal-title":"J Phys Chem C"},{"key":"3782_CR16","doi-asserted-by":"publisher","first-page":"222","DOI":"10.1016\/j.cplett.2013.12.036","volume":"592","author":"N Gao","year":"2014","unstructured":"Gao N, Li JC, Jiang Q (2014) Chem Phys Lett 592:222","journal-title":"Chem Phys Lett"},{"key":"3782_CR17","doi-asserted-by":"publisher","first-page":"9075","DOI":"10.1038\/srep09075","volume":"5","author":"F Pan","year":"2015","unstructured":"Pan F, Wang Y, Jiang K, Ni Z, Ma J, Zheng J, Quhe R, Shi J, Yang J, Chen C, Lu J (2015) Sci Rep 5:9075","journal-title":"Sci Rep"},{"key":"3782_CR18","doi-asserted-by":"publisher","first-page":"17046","DOI":"10.1039\/C5RA26107D","volume":"6","author":"SM Aghaei","year":"2016","unstructured":"Aghaei SM, Monshi MM, Torres I, Calizo I (2016) RSC Adv 6:17046","journal-title":"RSC Adv"},{"key":"3782_CR19","doi-asserted-by":"publisher","first-page":"104304","DOI":"10.1063\/1.4930139","volume":"118","author":"SM Aghaei","year":"2015","unstructured":"Aghaei SM, Calizo I (2015a) J Appl Phys 118:104304","journal-title":"J Appl Phys"},{"key":"3782_CR20","doi-asserted-by":"crossref","unstructured":"Aghaei SM, Calizo I (2015b) In: Proceeding of IEEE SoutheastCon (SECon-2015), Fort Lauderdale, 9\u201312 April 2015, pp 1\u20136","DOI":"10.1109\/SECON.2015.7132873"},{"key":"3782_CR21","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/j.surfrep.2011.10.001","volume":"67","author":"A Kara","year":"2012","unstructured":"Kara A, Enriquez H, Seitsonen AP, Voon LC, Vizzini S, Aufray B, Oughaddou H (2012) Sci Rep 67:1","journal-title":"Sci Rep"},{"key":"3782_CR22","doi-asserted-by":"publisher","first-page":"155501","DOI":"10.1103\/PhysRevLett.108.155501","volume":"108","author":"P Vogt","year":"2012","unstructured":"Vogt P, De Padova DP, Quaresima C, Avila J, Frantzeskakis E, Asensio MC, Resta A, Ealet B, Lay GL (2012) Phys Rev Lett 108:155501","journal-title":"Phys Rev Lett"},{"key":"3782_CR23","doi-asserted-by":"publisher","first-page":"24","DOI":"10.1016\/j.pmatsci.2016.04.001","volume":"83","author":"J Zhao","year":"2016","unstructured":"Zhao J, Liu H, Yu Z, Quhe R, Zhou S, Wang Y, Liu CC, Zhong H, Han N, Lu J, Yao Y, Wu K (2016) Prog Mater Sci 83:24","journal-title":"Prog Mater Sci"},{"key":"3782_CR24","doi-asserted-by":"publisher","first-page":"083115","DOI":"10.1063\/1.3211968","volume":"95","author":"Y Ding","year":"2009","unstructured":"Ding Y, Nia J (2009) Appl Phys Lett 95:083115","journal-title":"Appl Phys Lett"},{"key":"3782_CR25","doi-asserted-by":"crossref","unstructured":"Spencer MJS, Morishita T (2016) Silicene. In: Springer series in materials science, vol 235. Springer, Cham","DOI":"10.1007\/978-3-319-28344-9"},{"key":"3782_CR26","doi-asserted-by":"publisher","first-page":"075423","DOI":"10.1103\/PhysRevB.85.075423","volume":"85","author":"ND Drummond","year":"2012","unstructured":"Drummond ND, Zolyomi V, Fal\u2019ko VI (2012) Phys Rev B Condens Matter 85:075423","journal-title":"Phys Rev B Condens Matter"},{"key":"3782_CR27","doi-asserted-by":"publisher","first-page":"154002","DOI":"10.1088\/0957-4484\/26\/15\/154002","volume":"26","author":"RG Amorim","year":"2015","unstructured":"Amorim RG, Scheicher RH (2015) Nanotechnol 26:154002","journal-title":"Nanotechnol"},{"key":"3782_CR28","doi-asserted-by":"publisher","first-page":"257","DOI":"10.1007\/s11224-017-1025-9","volume":"29","author":"GK Walia","year":"2018","unstructured":"Walia GK, Randhawa DKK (2018a) Struct Chem 29:257. https:\/\/doi.org\/10.1007\/s11224-017-1025-9","journal-title":"Struct Chem"},{"key":"3782_CR29","doi-asserted-by":"publisher","first-page":"33","DOI":"10.1016\/j.susc.2017.12.013","volume":"670","author":"GK Walia","year":"2018","unstructured":"Walia GK, Randhawa DKK (2018b) Surf Sci 670:33. https:\/\/doi.org\/10.1016\/j.susc.2017.12.013","journal-title":"Surf Sci"},{"key":"3782_CR30","doi-asserted-by":"publisher","first-page":"94","DOI":"10.1007\/s00894-018-3631-x","volume":"24","author":"GK Walia","year":"2018","unstructured":"Walia GK, Randhawa DKK (2018c) J Mol Model 24:94. https:\/\/doi.org\/10.1007\/s00894-018-3631-x","journal-title":"J Mol Model"},{"key":"3782_CR31","doi-asserted-by":"publisher","unstructured":"Walia GK, Randhawa DKK (2018d) Struct Chem. https:\/\/doi.org\/10.1007\/s11224-018-1170-9","DOI":"10.1007\/s11224-018-1170-9"},{"key":"3782_CR32","first-page":"148","volume":"17","author":"M Ansell","year":"1970","unstructured":"Ansell M, Lewis FA (1970) J Forensic Med 17:148","journal-title":"J Forensic Med"},{"key":"3782_CR33","doi-asserted-by":"publisher","first-page":"651","DOI":"10.1007\/BF03006709","volume":"24","author":"D Aitken","year":"1977","unstructured":"Aitken D, West D, Smith F, Poznanski W, Cowan J, Hurtig J, Peterson E, Benoit B (1977) Can Anaesth Soc J 24:651","journal-title":"Can Anaesth Soc J"},{"key":"3782_CR34","doi-asserted-by":"publisher","first-page":"412","DOI":"10.1016\/j.apsusc.2012.11.021","volume":"265","author":"SF Rastegar","year":"2013","unstructured":"Rastegar SF, Peyghan AA, Hadipour NL (2013) Appl Surf Sci 265:412","journal-title":"Appl Surf Sci"},{"key":"3782_CR35","doi-asserted-by":"publisher","first-page":"2214","DOI":"10.1007\/s00894-014-2214-8","volume":"20","author":"M Zhao","year":"2014","unstructured":"Zhao M, Yang F, Xue Y, Xiao D, Guo Y (2014) J Mol Model 20:2214","journal-title":"J Mol Model"},{"key":"3782_CR36","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1007\/s11224-013-0230-4","volume":"25","author":"J Beheshtian","year":"2014","unstructured":"Beheshtian J, Peyghan AA, Bagheri Z, Tabar MB (2014) Struct Chem 25:1","journal-title":"Struct Chem"},{"key":"3782_CR37","doi-asserted-by":"publisher","first-page":"15985","DOI":"10.1021\/jp804727c","volume":"112","author":"RQ Wu","year":"2008","unstructured":"Wu RQ, Yang M, Lu YH, Feng YP (2008) J Phys Chem C 112:15985","journal-title":"J Phys Chem C"},{"key":"3782_CR38","doi-asserted-by":"publisher","first-page":"505704","DOI":"10.1088\/0957-4484\/20\/50\/505704","volume":"20","author":"R Wang","year":"2009","unstructured":"Wang R, Zhang D, Liu Y, Liu C (2009) Nanotechnology 20:505704","journal-title":"Nanotechnology"},{"key":"3782_CR39","doi-asserted-by":"publisher","first-page":"2197","DOI":"10.1007\/s00894-012-1751-2","volume":"19","author":"J Beheshtian","year":"2013","unstructured":"Beheshtian J, Peyghan AA, Bagheri Z (2013) J Mol Model 19:2197","journal-title":"J Mol Model"},{"key":"3782_CR40","doi-asserted-by":"publisher","first-page":"397","DOI":"10.1016\/S0021-9673(97)00327-0","volume":"778","author":"M Aguilar","year":"1997","unstructured":"Aguilar M, Farran A, Marti V (1997) J Chromatogr A 778:397","journal-title":"J Chromatogr A"},{"key":"3782_CR41","doi-asserted-by":"publisher","first-page":"31","DOI":"10.1016\/j.chroma.2007.02.083","volume":"1155","author":"TT Christison","year":"2007","unstructured":"Christison TT, Rohrer JS (2007) J Chromatogr 1155:31","journal-title":"J Chromatogr"},{"key":"3782_CR42","doi-asserted-by":"publisher","first-page":"178","DOI":"10.1021\/ac034713m","volume":"76","author":"D Shan","year":"2004","unstructured":"Shan D, Mousty C, Cosnier S (2004) Anal Chem 76:178","journal-title":"Anal Chem"},{"key":"3782_CR43","doi-asserted-by":"publisher","first-page":"158","DOI":"10.1016\/j.aca.2005.11.036","volume":"558","author":"AE Lindsay","year":"2006","unstructured":"Lindsay AE, O\u2019Hare D (2006) Anal Chim Acta 558:158","journal-title":"Anal Chim Acta"},{"key":"3782_CR44","doi-asserted-by":"publisher","first-page":"49","DOI":"10.1021\/ol7025763","volume":"10","author":"K-S Lee","year":"2008","unstructured":"Lee K-S, Kim H-J, Kim G-H, Shin I, Hong J-I (2008) Org Lett 10:49","journal-title":"Org Lett"},{"key":"3782_CR45","doi-asserted-by":"publisher","first-page":"186","DOI":"10.1039\/B510795D","volume":"2","author":"YM Chung","year":"2006","unstructured":"Chung YM, Raman B, Kim D-S, Ahn KH (2006) Chem Commun 2:186","journal-title":"Chem Commun"},{"key":"3782_CR46","doi-asserted-by":"publisher","first-page":"461","DOI":"10.1021\/ol702823u","volume":"10","author":"Z Ekmekci","year":"2008","unstructured":"Ekmekci Z, Yilmaz MD, Akkaya EU (2008) Org Lett 10:461","journal-title":"Org Lett"},{"key":"3782_CR47","doi-asserted-by":"publisher","first-page":"883","DOI":"10.1039\/B414858D","volume":"7","author":"WJ Jin","year":"2005","unstructured":"Jin WJ, Fernandez-Arguelles MT, Costa-Fernandez JM, Pereiro R, Sanz-Medel A (2005) Chem Commun 7:883","journal-title":"Chem Commun"},{"key":"3782_CR48","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/j.aca.2004.06.057","volume":"522","author":"WJ Jin","year":"2004","unstructured":"Jin WJ, Costa-Fernandez JM, Pereiro R, Sanz-Medel A (2004) Anal Chim Acta 522:1","journal-title":"Anal Chim Acta"},{"key":"3782_CR49","doi-asserted-by":"publisher","first-page":"1998","DOI":"10.1039\/b716194h","volume":"17","author":"A Touceda-Varela","year":"2008","unstructured":"Touceda-Varela A, Stevenson EI, Galve-Gasion JA, Dryden DTF, Mareque-Rivas JC (2008) Chem Commun 17:1998","journal-title":"Chem Commun"},{"key":"3782_CR50","doi-asserted-by":"publisher","first-page":"259","DOI":"10.1016\/S0003-2670(00)80959-9","volume":"246","author":"SM Jawad","year":"1991","unstructured":"Jawad SM, Alder JF (1991) Anal Chim Acta 246:259","journal-title":"Anal Chim Acta"},{"key":"3782_CR51","doi-asserted-by":"publisher","first-page":"6088","DOI":"10.1021\/es201121w","volume":"45","author":"M Yang","year":"2011","unstructured":"Yang M, He J, Hu X, Yan C, Cheng Z (2011) Environ Sci Technol 45:6088","journal-title":"Environ Sci Technol"},{"key":"3782_CR52","doi-asserted-by":"publisher","first-page":"692","DOI":"10.1016\/j.snb.2011.01.031","volume":"155","author":"M Yang","year":"2011","unstructured":"Yang M, He J, Hu X, Yan C, Cheng Z, Zhao Y, Zuo G (2011) Sensors Actuators B 155:692","journal-title":"Sensors Actuators B"},{"key":"3782_CR53","doi-asserted-by":"publisher","first-page":"1758","DOI":"10.1039\/c2an36380a","volume":"138","author":"M Yang","year":"2013","unstructured":"Yang M, He J, Hu X, Yan C, Cheng Z (2013) Analyst 138:1758","journal-title":"Analyst"},{"key":"3782_CR54","unstructured":"QuantumWise (2015) Atomistix Toolkit version 2015.0. QuantumWise, Copenhagen. Available from http:\/\/www.quantumwise.com"},{"key":"3782_CR55","doi-asserted-by":"publisher","first-page":"165401","DOI":"10.1103\/PhysRevB.65.165401","volume":"65","author":"M Brandbyge","year":"2002","unstructured":"Brandbyge M, Mozos J-L, Ordej\u00f3n P, Taylor J, Stokbro K (2002) Phys Rev B 65:165401","journal-title":"Phys Rev B"},{"key":"3782_CR56","doi-asserted-by":"publisher","first-page":"245407","DOI":"10.1103\/PhysRevB.63.245407","volume":"63","author":"J Taylor","year":"2001","unstructured":"Taylor J, Guo H, Wang J (2001) Phys Rev B 63:245407","journal-title":"Phys Rev B"},{"key":"3782_CR57","doi-asserted-by":"publisher","first-page":"847","DOI":"10.1021\/nl050167w","volume":"5","author":"Q Zhao","year":"2005","unstructured":"Zhao Q, Nardelli MB, Lu W, Bernholc J (2005) Nano Lett 5:847","journal-title":"Nano Lett"},{"key":"3782_CR58","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1007\/s10825-009-0263-5","volume":"8","author":"GB Abadir","year":"2009","unstructured":"Abadir GB, Walus K, Pulfrey DL (2009) J Comput Electron 8:1","journal-title":"J Comput Electron"},{"key":"3782_CR59","doi-asserted-by":"publisher","first-page":"385703","DOI":"10.1088\/0957-4484\/23\/38\/385703","volume":"23","author":"ME D\u00e1vila","year":"2012","unstructured":"D\u00e1vila ME, Marele A, De Padova P, Montero I, Hennies F, Pietzsch A, Shariati MN, G\u00f3mez-Rodr\u00edguez JM, Lay GL (2012) Nanotechnology 23:385703","journal-title":"Nanotechnology"},{"key":"3782_CR60","unstructured":"Poole CP Jr, Owens FJ (2003) Introduction to nanotechnology. Wiley, New York"},{"key":"3782_CR61","doi-asserted-by":"publisher","first-page":"6207","DOI":"10.1103\/PhysRevB.31.6207","volume":"31","author":"M B\u00fcttiker","year":"1985","unstructured":"B\u00fcttiker M, Imey Y, Landauer R, Pinhas S (1985) Phys Rev B 31:6207","journal-title":"Phys Rev B"}],"container-title":["Journal of Molecular Modeling"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s00894-018-3782-9\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s00894-018-3782-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s00894-018-3782-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,7,6]],"date-time":"2025-07-06T12:01:56Z","timestamp":1751803316000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s00894-018-3782-9"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018,8,18]]},"references-count":61,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2018,9]]}},"alternative-id":["3782"],"URL":"https:\/\/doi.org\/10.1007\/s00894-018-3782-9","relation":{},"ISSN":["1610-2940","0948-5023"],"issn-type":[{"value":"1610-2940","type":"print"},{"value":"0948-5023","type":"electronic"}],"subject":[],"published":{"date-parts":[[2018,8,18]]},"assertion":[{"value":"27 May 2018","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"1 August 2018","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"18 August 2018","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}}],"article-number":"242"}}