-
1
-
-
33846921866
-
Dust explosions-Cases, causes, consequences, and control
-
DOI 10.1016/j.jhazmat.2006.11.007, PII S0304389406013604
-
Abbasi, T.; Abbasi, S. A. Dust explosions-Cases, causes, consequences, and control J. Hazard. Mater. 2007, 140 (1-2) 7-44 (Pubitemid 46239945)
-
(2007)
Journal of Hazardous Materials
, vol.140
, Issue.1-2
, pp. 7-44
-
-
Abbasi, T.1
Abbasi, S.A.2
-
2
-
-
79951507238
-
-
CSB.Combustible Dust Hazard Study. U.S. Chemical Safety and Hazard Investigation Board, November (, Investigation Report 2006-H-1.
-
CSB.Combustible Dust Hazard Study. U.S. Chemical Safety and Hazard Investigation Board, November (2006, Investigation Report 2006-H-1.
-
(2006)
-
-
-
3
-
-
79951501993
-
-
CSB,. U.S. Chemical Safety and Hazard Investigation Board, September, Investigation Report No. 2008-05-I-GA.
-
CSB, Sugar Dust Explosion and Fire. U.S. Chemical Safety and Hazard Investigation Board, September 2009, Investigation Report No. 2008-05-I-GA.
-
(2009)
Sugar Dust Explosion and Fire
-
-
-
5
-
-
67349179619
-
Determination of parameters used to prevent ignition of stored materials and to protect against explosions in food industries
-
Ramírez, Á.; García-Torrent, J.; Aguado, P. J. Determination of parameters used to prevent ignition of stored materials and to protect against explosions in food industries J. Hazard. Mater. 2009, 168 (1) 115-120
-
(2009)
J. Hazard. Mater.
, vol.168
, Issue.1
, pp. 115-120
-
-
Ramírez, Á.1
García-Torrent, J.2
Aguado, P.J.3
-
6
-
-
0036255190
-
On the Decay of Turbulence in the 20-Liter Explosion Sphere
-
Dahoe, A. E.; Cant, R. S.; Scarlett, B. On the Decay of Turbulence in the 20-Liter Explosion Sphere Flow, Turbul. Combust. 2001, 67, 159-184
-
(2001)
Flow, Turbul. Combust.
, vol.67
, pp. 159-184
-
-
Dahoe, A.E.1
Cant, R.S.2
Scarlett, B.3
-
7
-
-
77950517664
-
Dust explosion causation, prevention and mitigation: An overview
-
Amyotte, P. R.; Eckhoff, R. K. Dust explosion causation, prevention and mitigation: An overview J. Chem. Health Saf. 2010, 17 (1) 15-28
-
(2010)
J. Chem. Health Saf.
, vol.17
, Issue.1
, pp. 15-28
-
-
Amyotte, P.R.1
Eckhoff, R.K.2
-
8
-
-
57949112826
-
Understanding dust explosions. The role of powder science and technology
-
Eckhoff, R. K. Understanding dust explosions. The role of powder science and technology J. Loss Prev. Process Ind. 2009, 22 (1) 105-116
-
(2009)
J. Loss Prev. Process Ind.
, vol.22
, Issue.1
, pp. 105-116
-
-
Eckhoff, R.K.1
-
9
-
-
0037450894
-
Prediction of reactive hazards based on molecular structure
-
DOI 10.1016/S0304-3894(02)00314-X, PII S030438940200314X
-
Saraf, S. R.; Rogers, W. J.; Mannan, M. S. Prediction of reactive hazards based on molecular structure J. Hazard. Mater. 2003, 98 (1-3) 15-29 (Pubitemid 36288429)
-
(2003)
Journal of Hazardous Materials
, vol.98
, Issue.1-3
, pp. 15-29
-
-
Saraf, S.R.1
Rogers, W.J.2
Mannan, M.S.3
-
10
-
-
4344560631
-
Integrating molecular modeling and process safety research
-
DOI 10.1016/j.fluid.2004.06.048, PII S0378381204002663
-
Saraf, S. R.; Rogers, W. J.; Ford, D. M.; Mannan, M. S. Integrating molecular modeling and process safety research Fluid Phase Equilib. 2004, 222-223, 205-211 (Pubitemid 39119873)
-
(2004)
Fluid Phase Equilibria
, vol.222-223
, pp. 205-211
-
-
Saraf, S.R.1
Rogers, W.J.2
Ford, D.M.3
Mannan, M.S.4
-
11
-
-
67649933550
-
A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure
-
Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure J. Hazard. Mater. 2009, 169 (1-3) 217-220
-
(2009)
J. Hazard. Mater.
, vol.169
, Issue.1-3
, pp. 217-220
-
-
Gharagheizi, F.1
-
12
-
-
67649803354
-
A novel QSPR model for prediction of lower flammability limits of organic compounds based on support vector machine
-
Pan, Y.; Jiang, J.; Wang, R.; Cao, H.; Cui, Y. A novel QSPR model for prediction of lower flammability limits of organic compounds based on support vector machine J. Hazard. Mater. 2009, 168 (2-3) 962-969
-
(2009)
J. Hazard. Mater.
, vol.168
, Issue.2-3
, pp. 962-969
-
-
Pan, Y.1
Jiang, J.2
Wang, R.3
Cao, H.4
Cui, Y.5
-
13
-
-
61349098757
-
Prediction of the net heat of combustion of organic compounds based on atom-type electrotopological state indices
-
Cao, H. Y.; Jiang, J. C.; Pan, Y.; Wang, R.; Cui, Y. Prediction of the net heat of combustion of organic compounds based on atom-type electrotopological state indices J. Loss Prev. Process Ind. 2009, 22 (2) 222-227
-
(2009)
J. Loss Prev. Process Ind.
, vol.22
, Issue.2
, pp. 222-227
-
-
Cao, H.Y.1
Jiang, J.C.2
Pan, Y.3
Wang, R.4
Cui, Y.5
-
14
-
-
43849095644
-
Advantages of support vector machine in QSPR studies for predicting auto-ignition temperatures of organic compounds
-
Pan, Y.; Jiang, J.; Wang, R.; Cao, H. Advantages of support vector machine in QSPR studies for predicting auto-ignition temperatures of organic compounds Chemom. Intell. Lab. Syst. 2008, 92 (2) 169-178
-
(2008)
Chemom. Intell. Lab. Syst.
, vol.92
, Issue.2
, pp. 169-178
-
-
Pan, Y.1
Jiang, J.2
Wang, R.3
Cao, H.4
-
15
-
-
79951495676
-
-
OSHA. Combustible Dust. (accessed January 2010)
-
OSHA. Combustible Dust. http://www.osha.gov/Publications/ combustibledustposter.pdf (accessed January 2010).
-
-
-
-
16
-
-
79951494486
-
-
IFA. GESTIS-DUST-EX. Database Combustion and explosion characteristics of dusts. (accessed January 2010)
-
IFA. GESTIS-DUST-EX. Database Combustion and explosion characteristics of dusts. http://www.dguv.de/ifa/en/gestis/expl/index.jsp (accessed January 2010).
-
-
-
-
17
-
-
79951474608
-
-
BAM, PTB, DECHEMA. CHEMSAFE Database for recommended safety characteristics, (accessed January 2010).
-
BAM, PTB, DECHEMA. CHEMSAFE Database for recommended safety characteristics, http://i-systems.dechema.de/chemsafe/def-e.php#median%20value (accessed January 2010).
-
-
-
-
18
-
-
79951487509
-
-
NCBI. PubChem Project. (accessed February 2010)
-
NCBI. PubChem Project. http://pubchem.ncbi.nlm.nih.gov/ (accessed February 2010)
-
-
-
-
19
-
-
34248151259
-
-
Gaussian, Inc.: Pittsburgh PA.
-
GaussView03; Gaussian, Inc.: Pittsburgh PA, 2003.
-
(2003)
GaussView03
-
-
-
20
-
-
41049101648
-
A simple equation for prediction of net heat of combustion of pure chemicals
-
Gharagheizi, F. A simple equation for prediction of net heat of combustion of pure chemicals Chemom. Intell. Lab. Syst. 2008, 91 (2) 177-180
-
(2008)
Chemom. Intell. Lab. Syst.
, vol.91
, Issue.2
, pp. 177-180
-
-
Gharagheizi, F.1
-
21
-
-
0038626673
-
-
revision A.1; Gaussian Inc.: Pittsburgh, PA.
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision A.1; Gaussian Inc.: Pittsburgh, PA, 2003.
-
(2003)
Gaussian 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
22
-
-
34250839364
-
A DFT study on the mechanism and regioselectivity of the tandem O-nitroso aldol/Michael reaction of nitrosobenzene and cyclohexenone
-
Zhu, R.; Zhang, D.; Wu, J.; Liu, C. A DFT study on the mechanism and regioselectivity of the tandem O-nitroso aldol/Michael reaction of nitrosobenzene and cyclohexenone J. Mol. Struct. 2007, 815 (1-3) 105-109
-
(2007)
J. Mol. Struct.
, vol.815
, Issue.1-3
, pp. 105-109
-
-
Zhu, R.1
Zhang, D.2
Wu, J.3
Liu, C.4
-
23
-
-
70449640443
-
-
ab initio and Molecular Simuation Studies of Organic and Inorganic Counter Effect on Anionic Viscoelastic Surfactants., Woodlands, TX, April 20-22.
-
Sultan, A. S.; Balbuena, P. B.; Hill, A. D.; Nasr-EL-Din, H. A., ab initio and Molecular Simuation Studies of Organic and Inorganic Counter Effect on Anionic Viscoelastic Surfactants. SPE International Symposium on Oilfield Chemistry, Woodlands, TX, April 20-22, 2009.
-
(2009)
SPE International Symposium on Oilfield Chemistry
-
-
Sultan, A.S.1
Balbuena, P.B.2
Hill, A.D.3
Nasr-El-Din, H.A.4
-
24
-
-
46049088279
-
Performance of B3LYP density functional methods for a large set of organic molecules
-
Tirado-Rives, J.; Jorgensen, W. J. Performance of B3LYP density functional methods for a large set of organic molecules J. Chem. Theory Comput. 2008, 4, 297-306
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 297-306
-
-
Tirado-Rives, J.1
Jorgensen, W.J.2
-
25
-
-
77957358875
-
-
Accelrys Inc.; Accelrys Inc.: San Diego, CA.
-
Accelrys Inc. Materials Studio 5.0; Accelrys Inc.: San Diego, CA, 2009.
-
(2009)
Materials Studio 5.0
-
-
-
26
-
-
33846069819
-
QSAR Studies on Chalcones and Flavonoids as Anti-tuberculosis Agents Using Genetic Function Approximation (GFA) Method
-
Ponnurengam, M. S.; Sethu, K. G.; Doble, M. QSAR Studies on Chalcones and Flavonoids as Anti-tuberculosis Agents Using Genetic Function Approximation (GFA) Method Chem. Pharm. Bull. 2006, 55 (1) 44-49
-
(2006)
Chem. Pharm. Bull.
, vol.55
, Issue.1
, pp. 44-49
-
-
Ponnurengam, M.S.1
Sethu, K.G.2
Doble, M.3
-
27
-
-
0028467707
-
Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships
-
Rogers, D.; Hopfinger, A. J. Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships J. Chem. Inf. Comput. Sci. 1994, 34 (4) 854-866
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, Issue.4
, pp. 854-866
-
-
Rogers, D.1
Hopfinger, A.J.2
-
28
-
-
0034150328
-
Mining and Visualizing Large Anticancer Drug Discovery Databasesâ
-
Shi, L. M.; Fan, Y.; Lee, J. K.; Waltham, M.; Andrews, D. T.; Scherf, U.; Paull, K. D.; Weinstein, J. N. Mining and Visualizing Large Anticancer Drug Discovery Databasesâ J. Chem. Inf. Comput. Sci. 1999, 40 (2) 367-379
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.40
, Issue.2
, pp. 367-379
-
-
Shi, L.M.1
Fan, Y.2
Lee, J.K.3
Waltham, M.4
Andrews, D.T.5
Scherf, U.6
Paull, K.D.7
Weinstein, J.N.8
-
29
-
-
0035960060
-
Quantitative structure-antitumor activity relationships of camptothecin analogues: Cluster analysis and genetic algorithm-based studies
-
DOI 10.1021/jm0005151
-
Fan, Y.; Shi, L. M.; Kohn, K. W.; Pommier, Y.; Weinstein, J. N. Quantitative Structure-Antitumor Activity Relationships of Camptothecin Analogues: Cluster Analysis and Genetic Algorithm-Based Studies J. Med. Chem. 2001, 44 (20) 3254-3263 (Pubitemid 32917105)
-
(2001)
Journal of Medicinal Chemistry
, vol.44
, Issue.20
, pp. 3254-3263
-
-
Fan, Y.1
Shi, L.M.2
Kohn, K.W.3
Pommier, Y.4
Weinstein, J.N.5
-
30
-
-
66849113847
-
Recent Developments of in Silico Predictions of Intestinal Absorption and Oral Bioavailability
-
Hou, T.; Li, Y.; Zhang, W.; Wang, J. Recent Developments of In Silico Predictions of Intestinal Absorption and Oral Bioavailability Comb. Chem. High Throughput Screening 2009, 12, 497-506
-
(2009)
Comb. Chem. High Throughput Screening
, vol.12
, pp. 497-506
-
-
Hou, T.1
Li, Y.2
Zhang, W.3
Wang, J.4
-
31
-
-
33645389717
-
Assessing the factors responsible for ionic liquid toxicity to aquatic organisms via quantitative structure-property relationship modeling
-
DOI 10.1039/b511333d
-
Couling, D. J.; Bernot, R. J.; Docherty, K. M.; Dixon, J. K.; Maginn, E. J. Assessing the factors responsible for ionic liquid toxicity to aquatic organisms via quantitative structure-property relationship modeling Green Chem. 2006, 8 (1) 82-90 (Pubitemid 43485029)
-
(2006)
Green Chemistry
, vol.8
, Issue.1
, pp. 82-90
-
-
Couling, D.J.1
Bernot, R.J.2
Docherty, K.M.3
Dixon, J.K.4
Maginn, E.J.5
-
32
-
-
0002432565
-
Multivariate Adaptive Regression Splines
-
Friedman, J. H. Multivariate Adaptive Regression Splines Ann. Stat. 1991, 19 (1) 1-67
-
(1991)
Ann. Stat.
, vol.19
, Issue.1
, pp. 1-67
-
-
Friedman, J.H.1
-
34
-
-
0034188199
-
Overview of dust explosibility characteristics
-
Cashdollar, K. L. Overview of dust explosibility characteristics J. Loss Prev. Process Ind. 2000, 13 (3-5) 183-199
-
(2000)
J. Loss Prev. Process Ind.
, vol.13
, Issue.3-5
, pp. 183-199
-
-
Cashdollar, K.L.1
-
35
-
-
33846554894
-
Quantitative structure-activity relationship (QSAR) for neuroprotective activity of terpenoids
-
DOI 10.1016/j.lfs.2006.11.009, PII S0024320506008654
-
Chang, H.-J.; Kim, H. J.; Chun, H. S. Quantitative structure-activity relationship (QSAR) for neuroprotective activity of terpenoids Life Sci. 2007, 80 (9) 835-841 (Pubitemid 46164811)
-
(2007)
Life Sciences
, vol.80
, Issue.9
, pp. 835-841
-
-
Chang, H.-J.1
Kim, H.J.2
Chun, H.S.3
-
36
-
-
0001728908
-
Quantum-Chemical Descriptors in QSAR/QSPR Studies
-
Karelson, M.; Lobanov, V. S.; Katritzky, A. R. Quantum-Chemical Descriptors in QSAR/QSPR Studies Chem. Rev. 1996, 96 (3) 1027-1044
-
(1996)
Chem. Rev.
, vol.96
, Issue.3
, pp. 1027-1044
-
-
Karelson, M.1
Lobanov, V.S.2
Katritzky, A.R.3
-
37
-
-
0038724207
-
The importance of being earnest: Validation is the absolute essential for successful application and interpretation of QSPR models
-
Tropsha, A.; Gramatica, P.; Gombar, V. K. The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models QSAR Comb. Sci. 2003, 22 (1) 69-77 (Pubitemid 36717473)
-
(2003)
QSAR and Combinatorial Science
, vol.22
, Issue.1
, pp. 69-77
-
-
Tropsha, A.1
Gramatica, P.2
Gombar, V.K.3
-
38
-
-
34250628103
-
Principles of QSAR models validation: Internal and external
-
DOI 10.1002/qsar.200610151
-
Gramatica, P. Principles of QSAR models validation: internal and external QSAR Comb. Sci. 2007, 26 (5) 694-701 (Pubitemid 46932857)
-
(2007)
QSAR and Combinatorial Science
, vol.26
, Issue.5
, pp. 694-701
-
-
Gramatica, P.1
-
39
-
-
0042355453
-
Rational selection of training and test sets for the development of validated QSAR models
-
DOI 10.1023/A:1025386326946
-
Golbraikh, A.; Shen, M.; Xiao, Z.; Xiao, Y.-D.; Lee, K-H; Tropsha, A. Rational selection of training and test sets for the development of validated QSAR models J. Comput.-Aided Mol. Des. 2003, 17, 241-253 (Pubitemid 37062785)
-
(2003)
Journal of Computer-Aided Molecular Design
, vol.17
, Issue.2-4
, pp. 241-253
-
-
Golbraikh, A.1
Shen, M.2
Xiao, Z.3
Xiao, Y.-D.4
Lee, K.-H.5
Tropsha, A.6
-
40
-
-
68549132527
-
QSPR Flash Point Prediction of Solvents Using Topological Indices for Application in Computer Aided Molecular Design
-
Patel, S. J.; Ng, D.; Mannan, M. S. QSPR Flash Point Prediction of Solvents Using Topological Indices for Application in Computer Aided Molecular Design Ind. Eng. Chem. Res. 2009, 48 (15) 7378-7387
-
(2009)
Ind. Eng. Chem. Res.
, vol.48
, Issue.15
, pp. 7378-7387
-
-
Patel, S.J.1
Ng, D.2
Mannan, M.S.3
|