Global optimization for molecular conformation problems

Costas D. Maranas; Christodoulos A. Floudas

doi:10.1007/bf02023173

journal article Dec 01, 1993

Global optimization for molecular conformation problems

Costas D. Maranas

Christodoulos A. Floudas

Annals of Operations Research Vol. 42 No. 1 pp. 85-117 · Springer Science and Business Media LLC

View at Publisher Save 10.1007/bf02023173

Topics

No keywords indexed for this article. Browse by subject →

References

67

[1]

C.A. Floudas and V. Visweswaran, Comp. Chem. Eng. 14(1990)1397. 10.1016/0098-1354(90)80020-c

[2]

V. Visweswaran and C.A. Floudas, Comp. Chem. Eng. 14(1990)1419. 10.1016/0098-1354(90)80021-3

[3]

V. Visweswaran and C.A. Floudas,Proc. Process Systems Engineering, PSE '91 (1991) p. I.6.1.

[4]

C.A. Floudas and V. Visweswaran, J. Optim. Theory Appl. (1992).

[5]

M.R. Hoare, Adv. Chem. Phys. 40(1979)49. 10.1002/9780470142592.ch2

[6]

M.D. Morse and R.E. Smalley, Phys. Chem. 88(1984)228.

[7]

R.S. Bowles, J.J. Kolstad, J.M. Calo and R.P. Andres, Surf. Sci. 106(1981)117. 10.1016/0039-6028(81)90188-6

[8]

E. Kay, Z. Phys. D 3(1986)251; J. Mol. Struct. 157(1987)43.

[9]

A. Brenner, D.H. Farrar and R.J. Goudsmit,Metal Clusters (Wiley, New York, 1986).

[10]

H. Poppa, D. Moorhead and K. Heinemann, Thin Solid Films 128(1985)251. 10.1016/0040-6090(85)90077-x

[11]

M.A. Duncan and D.H. Rouvray, Microclusters, Sci. Amer. (December 1989). 10.1038/scientificamerican1289-110

[12]

R. Pool, Science 24(1990)1186. 10.1126/science.248.4960.1186

[13]

T.L. Beck, J. Jellinek and R.S. Berry, J. Chem. Phys. 87(1987)545. 10.1063/1.453602

[14]

R.S. Berry, Sci. Amer. (1990).

[15]

M.R. Hoare and J. McInnes, Adv. Phys. 32(1983)791. 10.1080/00018738300101611

[16]

L.T. Wille and J. Vennik, J. Phys. A 18(1985)L419. 10.1088/0305-4470/18/8/003

[17]

M.R. Garey and D.S. Johnson,Computers and Intractability: A Guide to the Theory of NP-Completeness (Freeman, San Francisco, 1979).

[18]

A.H. Boerdijk, Philips Res. Rep. 7(1953)303.

[19]

H.S.M. Coxeter,Introduction to Geometry (Wiley, New York, 1961) chap. 22.

[20]

L. Fejes-Toth,Regular Figures (Macmillan, New York, 1954) chap. 9.

[21]

J.H. Conway and N.J.A. Sloane,Sphere Packings, Lattices and Groups (Springer, 1988). 10.1007/978-1-4757-2016-7

[22]

M.R. Hoare and P. Pal, Nature Phys. Sci. 230(1971)5. 10.1038/physci230005a0

[23]

M.R. Hoare and P. Pal, Adv. Phys. 20(1971)161. 10.1080/00018737100101231

[24]

M.R. Hoare and P. Pal, J. Cryst. Growth 17(1972)77. 10.1016/0022-0248(72)90234-5

[25]

M.R. Hoare and J. McInnes, Faraday Discussions Chem. Soc. 61(1972)12. 10.1039/dc9766100012

[26]

L.T. Wille, Nature 34(1986)46. 10.1038/324046a0

[27]

L. Piela, J. Kostrowicki and H.A. Scheraga, J. Phys. Chem. 93(1989)3339. 10.1021/j100345a090

[28]

F.H. Stillinger and T.A. Weber, Adv. Chem. Phys. 52(1988)1429.

[29]

D. Beeman, J. Comp. Phys. 20(1976)130. 10.1016/0021-9991(76)90059-0

[30]

D.J. Evans and G.P. Morris, Comput. Phys. Rep. 1(1984)297. 10.1016/0167-7977(84)90001-7

[31]

L.D. Heidi, J. Jellinek and R.S. Berry, J. Chem. Phys. 86(1987)6456. 10.1063/1.452436

[32]

J. Jellinek, T.L. Beck and R.S. Berry, J. Chem. Phys. 84(1986)2783. 10.1063/1.450303

[33]

J.D. Honeycutt and H.C. Andersen, J. Phys. Chem. 91(1987)4950. 10.1021/j100303a014

[34]

E.E. Polymeropoulos and J. Brickmann, Chem. Phys. Lett. 96(1983)73. 10.1016/0009-2614(83)80670-8

[35]

E.E. Polymeropoulos and J. Brickmann, Surf. Sci. 156(1985)563. 10.1016/0039-6028(85)90225-0

[36]

I.L. Garzon, X.P. Long, R. Kawai and J.H. Weare, Chem. Phys. Lett. 158(1989)525. 10.1016/0009-2614(89)87383-x

[37]

I.L. Garzon, X.P. Long, R. Kawai and J.H. Weare, Z. Phys. D — Atoms, Molecules and Clusters 12(1989)81. 10.1007/bf01426910

[38]

S. Erkoc and S. Katircioglu, Chem. Phys. Lett. 147(1988)476. 10.1016/0009-2614(88)85011-5

[39]

Equation of State Calculations by Fast Computing Machines

Nicholas Metropolis, Arianna W. Rosenbluth, Marshall N. Rosenbluth et al.

The Journal of Chemical Physics 1953 10.1063/1.1699114

[40]

N.H. Tsai and F.F. Abraham, Surf. Sci. 77(1978)465. 10.1016/0039-6028(78)90134-6

[41]

N. Quirke and P. Sheng, Chem. Phys. Lett. 110(1984)63. 10.1016/0009-2614(84)80147-5

[42]

H.U. Bohmer and S.D. Peyerimhoff, Stability and structure of singly-charged argon clusters Ag n + ,n=3–27. A Monte Carlo simulation, Z. Phys. D — Atoms, Molecules and Clusters 11(1989)239. 10.1007/bf01438010

[43]

D.L. Freeman and J.D. Doll, J. Chem. Phys. 82(1984)462. 10.1063/1.448768

[44]

C.Y. Yang and G. Bambakidis,Transition Metals, Institute of Physics Conf. Series 39(1977).

[45]

T. Halicioglu and P.J. White, J. Vac. Sci. Technol. 17(1980)1213. 10.1116/1.570641

[46]

Optimization by Simulated Annealing

S. Kirkpatrick, C. D. Gelatt, M. P. Vecchi

Science 1983 10.1126/science.220.4598.671

[47]

D. Vanderbild and S.G. Louie, J. Comput. Phys. 56(1984)259. 10.1016/0021-9991(84)90095-0

[48]

L.T. Wille, Chem. Phys. Lett. 133(1987)405. 10.1016/0009-2614(87)87091-4

[49]

P. Ballone and P. Milani, Phys. Rev. 42(1990)3905.

[50]

D. Hohl, R.O. Jones, R. Car and M. Parrinello, J. Chem Phys 89(1988)6823. 10.1063/1.455356

Showing 50 of 67 references

Cited By

35

A deterministic global optimization approach for molecular structure determination

Costas D. Maranas, Christodoulos A. Floudas · 1994

The Journal of Chemical Physics

Global minimum potential energy conformations of small molecules

Costas D. Maranas, Christodoulos A. Floudas · 1994

Journal of Global Optimization

Metrics

35

Citations

67

References

Details

Published: Dec 01, 1993
Vol/Issue: 42(1)
Pages: 85-117
License: View

Authors

C

Costas D. Maranas

Department of Chemical Engineering, Princeton University, Princeton, New Jersey 08544-5263

C

Christodoulos A. Floudas

Cite This Article

Costas D. Maranas, Christodoulos A. Floudas (1993). Global optimization for molecular conformation problems. Annals of Operations Research, 42(1), 85-117. https://doi.org/10.1007/bf02023173

Global optimization for molecular conformation problems

You May Also Like