Mon, 8 January 2018
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Preprint ARTICLE Download: 28| View: 54| Comments: 0| doi:10.20944/preprints201801.0069.v1
Subject: Chemistry, General & Theoretical Chemistry; meta-aminobenzoic acid; solvation; aggregation; polymorphism; atomistic simulations
Online: 8 January 2018 (12:12:25 CET)
Tue, 19 December 2017
Preprint ARTICLE Download: 35| View: 81| Comments: 0| doi:10.20944/preprints201712.0130.v1
Subject: Chemistry, General & Theoretical Chemistry; liquid viscosity; activity coefficient at infinite dilution; group-additivity method
Online: 19 December 2017 (07:05:38 CET)
Thu, 28 September 2017
Preprint ARTICLE Download: 102| View: 193| Comments: 0| doi:10.20944/preprints201709.0141.v1
Subject: Chemistry, General & Theoretical Chemistry; purine and рyrimidine bases; donor/acceptor properties; quantum-chemical calculations; frontier levels; middle energy gap; parameter φ
Online: 28 September 2017 (03:13:48 CEST)
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Mon, 5 June 2017
Preprint ARTICLE Download: 348| View: 357| Comments: 0| doi:10.20944/preprints201706.0022.v1
Subject: Chemistry, General & Theoretical Chemistry; HPPD inhibitors; pharmacophore model; molecule docking; HipHop model; virtual screening; ChemDiv
Online: 5 June 2017 (05:16:39 CEST)
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Tue, 23 May 2017
Preprint ARTICLE Download: 206| View: 363| Comments: 0| doi:10.20944/preprints201705.0169.v1
Subject: Chemistry, General & Theoretical Chemistry; enthalpy of vaporization; enthalpy of sublimation; enthalpy of solvation; entropy of fusion; total phase-change entropy; tpc entropy; group-additivity method
Online: 23 May 2017 (08:54:22 CEST)
Fri, 5 May 2017
Preprint ARTICLE Download: 326| View: 456| Comments: 0| doi:10.20944/preprints201705.0047.v1
Subject: Chemistry, General & Theoretical Chemistry; azo-compound; antimicrobial; synthesis; QSAR.
Online: 5 May 2017 (13:38:51 CEST)
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Mon, 9 January 2017
Preprint ARTICLE Download: 465| View: 609| Comments: 0| doi:10.20944/preprints201701.0029.v2
Subject: Chemistry, General & Theoretical Chemistry; electron transfer; Marcus equation; enzymatic fuel cell; hydrogen oxidation; electrode adsorption; DFT; bioelectrochemistry
Online: 9 January 2017 (02:49:00 CET)
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Wed, 21 December 2016
Preprint ARTICLE Download: 488| View: 552| Comments: 0| doi:10.20944/preprints201612.0109.v1
Subject: Chemistry, General & Theoretical Chemistry; acrolein; Au Cluster; DFT
Online: 21 December 2016 (10:15:53 CET)
Thu, 24 November 2016
Preprint ARTICLE Download: 548| View: 548| Comments: 0| doi:10.20944/preprints201611.0118.v1
Subject: Chemistry, General & Theoretical Chemistry; M-polynomial; Zagreb polynomial; topological index; network
Online: 24 November 2016 (01:53:31 CET)
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Tue, 23 August 2016
Preprint ARTICLE Download: 558| View: 688| Comments: 0| doi:10.20944/preprints201608.0198.v1
Subject: Chemistry, General & Theoretical Chemistry; huperzine A-AChE; molecular docking; intermolecular interaction; quantum chemical calculation; charge density distribution; atomic charges; dipole moment; electrostatic potential; toxicity analysis
Online: 23 August 2016 (12:33:27 CEST)
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