-
1
-
-
0001996409
-
A personal view about topological indices for QSAR/QSPR
-
Nova Science Publishers, Huntington, NY
-
Balaban, Alexandru T., A Personal View About Topological Indices for QSAR / QSPR, QSPR / QSAR Studies by Molecular Descriptors, Nova Science Publishers, Huntington, NY, 2001, 1-30.
-
(2001)
QSPR/QSAR Studies by Molecular Descriptors
, pp. 1-30
-
-
Balaban, A.T.1
-
3
-
-
0003765572
-
-
Oxford Univ. Press, London
-
Biggs, Norman L., Lloyd, E. Keith and Wilson, Robin J., Graph Theory: 1736-1936, Oxford Univ. Press, London, 1976.
-
(1976)
Graph Theory: 1736-1936
-
-
Biggs, N.L.1
Lloyd, E.K.2
Wilson, R.J.3
-
4
-
-
0003956198
-
-
Duxbury Press, Belmont, CA
-
Devore, Jay L. and Peck, Roxy, Statistics: the exploration and analysis of data, Third edition, Duxbury Press, Belmont, CA, 1997.
-
(1997)
Statistics: The Exploration and Analysis of Data, Third Edition
-
-
Devore, J.L.1
Peck, R.2
-
6
-
-
0003979784
-
-
Advances in chemistry series, no. 22, Amer. Chem. Soc., Washington, D. C.
-
Dreisbach, Robert Richert, Physical properties of chemical compounds - II, Advances in chemistry series, no. 22, Amer. Chem. Soc., Washington, D. C., 1959.
-
(1959)
Physical Properties of Chemical Compounds - II
-
-
Dreisbach, R.R.1
-
7
-
-
0000251975
-
Neural network based Quantitative Structural Property Relations (QSPRs) for predicting boiling points of aliphatic hydrocarbons
-
Espinosa, Gabriela, Yaffe, Denise, Cohen, Yoram, Arenas, Alex, and Giralt, Francesc, Neural Network Based Quantitative Structural Property Relations (QSPRs) for Predicting Boiling Points of Aliphatic Hydrocarbons, J. Chem. Inf. Comput. Sci. 40 (2000) 859-879.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 859-879
-
-
Espinosa, G.1
Yaffe, D.2
Cohen, Y.3
Arenas, A.4
Giralt, F.5
-
8
-
-
0002323724
-
An introduction to matching polynomials
-
Farrell, Edward J., An introduction to matching polynomials, J. Combinat. Theory Ser. B 27 (1979) 75-86.
-
(1979)
J. Combinat. Theory Ser. B
, vol.27
, pp. 75-86
-
-
Farrell, E.J.1
-
9
-
-
0001556338
-
Nonlinear programming without a penalty function
-
Fletcher, Roger and Leyffer, Sven, Nonlinear programming without a penalty function, Math. Program. Ser. A, 91 (2002) 239-269.
-
(2002)
Math. Program. Ser. A
, vol.91
, pp. 239-269
-
-
Fletcher, R.1
Leyffer, S.2
-
10
-
-
0003404231
-
-
Boyd and Fraser Publishing Co., Danvers, MA
-
Fourer, Robert, Gay, David M., and Kernighan, Brian W., AMPL: A Modeling Language for Mathematical Programming, Boyd and Fraser Publishing Co., Danvers, MA, 1993.
-
(1993)
AMPL: A Modeling Language for Mathematical Programming
-
-
Fourer, R.1
Gay, D.M.2
Kernighan, B.W.3
-
11
-
-
0036433588
-
SNOPT: An SQP algorithm for large-scale constrained optimization
-
Gill, Philip E., Murray, Walter, and Saunders, Michael A., SNOPT: An SQP algorithm for large-scale constrained optimization, SIAM Journal on Optimization 12 (2002) 979-1006.
-
(2002)
SIAM Journal on Optimization
, vol.12
, pp. 979-1006
-
-
Gill, P.E.1
Murray, W.2
Saunders, M.A.3
-
14
-
-
0142034605
-
Selected values of properties of hydrocarbons and related compounds
-
formerly, Texas A&M University
-
Hall, Kenneth R. [and others], Selected Values of Properties of Hydrocarbons and Related Compounds, formerly API Research Project 44: v. A-78, Texas A&M University, 1979.
-
(1979)
API Research Project 44: V. A-78
-
-
Hall, K.R.1
-
16
-
-
0142034603
-
A system correlating molecular structure of organic compounds with their boiling points. VII. New boiling points for certain paraffins and olefins
-
Kinney, Corliss R. and Spliethoff, William L., A system correlating molecular structure of organic compounds with their boiling points. VII. new boiling points for certain paraffins and olefins, J. Org. Chem. 14 (1949) 71-78.
-
(1949)
J. Org. Chem.
, vol.14
, pp. 71-78
-
-
Kinney, C.R.1
Spliethoff, W.L.2
-
17
-
-
0035962816
-
Application of hypergraph theory in chemistry
-
Konstantinova, Elena V. and Skorobogatov, Vladimir A., Application of hypergraph theory in chemistry, Discrete Math. 235 (2001) 365-383.
-
(2001)
Discrete Math.
, vol.235
, pp. 365-383
-
-
Konstantinova, E.V.1
Skorobogatov, V.A.2
-
18
-
-
85037773866
-
-
The NEOS Guide, Available online at http://www-fp.mcs.anl.gov/otc/Guide/.
-
The NEOS Guide
-
-
-
19
-
-
79961028101
-
-
NIST Chemistry WebBook, Available online at http://webbook.nist.gov/chemistry/.
-
NIST Chemistry WebBook
-
-
-
20
-
-
0142129850
-
Synthesis and physical properties of several aliphatic and alicyclic hydrocarbons
-
Pomerantz, Philip [and others], Synthesis and physical properties of several aliphatic and alicyclic hydrocarbons, J. Res. Natl. Bur. Stand. 52 (1954) 59-65.
-
(1954)
J. Res. Natl. Bur. Stand.
, vol.52
, pp. 59-65
-
-
Pomerantz, P.1
-
21
-
-
0142129851
-
On Cayley's enumeration of alkanes (or 4-valent trees)
-
Article 99.1.1
-
Rains, Eric M. and Sloane, Neil J. A., On Cayley's enumeration of alkanes (or 4-valent trees), J. Integer Sequences 2 (1999), Article 99.1.1.
-
(1999)
J. Integer Sequences
, vol.2
-
-
Rains, E.M.1
Sloane, N.J.A.2
-
23
-
-
0142098196
-
-
Circular of the Natl. Bur. Stand. 461, U. S. Government Printing Office, Washington, DC
-
Rossini, Frederick Dominic [and others], Selected Values of Properties of Hydrocarbons, Circular of the Natl. Bur. Stand. 461, U. S. Government Printing Office, Washington, DC (1947).
-
(1947)
Selected Values of Properties of Hydrocarbons
-
-
Rossini, F.D.1
-
24
-
-
84885351088
-
-
Mathematics and computational concepts in chemistry (N. Trinajstić, ed.), Ellis Horwood, Chichester, England
-
Rouvray, Dennis H., The role of the topological distance matrix in chemistry, Mathematics and computational concepts in chemistry (N. Trinajstić, ed.), Ellis Horwood, Chichester, England, 1986, 295-306.
-
(1986)
The Role of the Topological Distance Matrix in Chemistry
, pp. 295-306
-
-
Rouvray, D.H.1
-
25
-
-
0142034607
-
-
Elsevier, Amsterdam
-
Rouvray, Dennis H., Combinatorics in chemistry, Handbook of combinatorics, vol. 2, Elsevier, Amsterdam, 1995, 1955-1981.
-
(1995)
Combinatorics in Chemistry, Handbook of Combinatorics
, vol.2
, pp. 1955-1981
-
-
Rouvray, D.H.1
-
26
-
-
0041037845
-
On topological indices, boiling points, and cycloalkanes
-
Rücker, Gerta and Rücker, Christoph, On Topological Indices, Boiling Points, and Cycloalkanes, J. Chem. Inf. Comput. Sci, 39, (1999) 788-802.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 788-802
-
-
Rücker, G.1
Rücker, C.2
-
27
-
-
0142034604
-
A formal method for correlating the properties of alkanes: I. Normal boiling points of monoalkylalkanes
-
English transl.
-
Seifer, A. L. and Smolenskii, E. A., A formal method for correlating the properties of alkanes: I. normal boiling points of monoalkylalkanes, Russ. J. Phys. Chem. (English transl.) 37 (1963) 1438-1441.
-
(1963)
Russ. J. Phys. Chem.
, vol.37
, pp. 1438-1441
-
-
Seifer, A.L.1
Smolenskii, E.A.2
-
28
-
-
0004315104
-
-
Wiley-VCH, Weinheim, Germany
-
Todeschini, Roberto and Consonni, Vivianna, Handbook of Molecular Descriptors, Wiley-VCH, Weinheim, Germany, 2000.
-
(2000)
Handbook of Molecular Descriptors
-
-
Todeschini, R.1
Consonni, V.2
-
29
-
-
8544254107
-
Structural determination of paraffin boiling points
-
Wiener, Harry, Structural determination of paraffin boiling points, J. Amer. Chem. Soc. 69 (1947) 17-86.
-
(1947)
J. Amer. Chem. Soc.
, vol.69
, pp. 17-86
-
-
Wiener, H.1
-
30
-
-
0000148076
-
Vapor pressure - Temperature relationships among branched paraffin hydrocarbons
-
Wiener, Harry, Vapor pressure - temperature relationships among branched paraffin hydrocarbons, J. Chem. Phys. 52 (1948) 425-430.
-
(1948)
J. Chem. Phys.
, vol.52
, pp. 425-430
-
-
Wiener, H.1
|