+++ 1 Can. J. Phys. (NRS)

[SSR]

Здравствуйте, уважаемые коллеги!

Помогите, пожалуйста, со следующими публикациями:


+++ SD

+++ 1) Mark S. Gordon // The isomers of silacyclopropane // Chemical Physics Letters, 1980, Volume 76, Issue 1, Pages 163-168

Код: Выделить всё

http://dx.doi.org/10.1016/0009-2614(80)80628-2

+++ 2) Mark S. Gordon and Thanh N. Truong // Potential primary pyrolysis processes of methylsilane // Chemical Physics Letters, 1987, Volume 142, Issues 1-2, Pages 110-114

Код: Выделить всё

http://dx.doi.org/10.1016/0009-2614(87)87261-5

+++ 3) L. Visscher and K. G. Dyall // Dirac–Fock atomic electronic structure calculations using different nuclear charge distributions // Atomic Data and Nuclear Data Tables, 1997, Volume 67, Issue 2, Pages 207-224

Код: Выделить всё

http://dx.doi.org/10.1006/adnd.1997.0751

+++ Шpr*ng*r

+++ 4) P. C. Hariharan and J. A. Pople // The influence of polarization functions on molecular orbital hydrogenation energies // Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 1973, Volume 28, Number 3, Pages 213-222

Код: Выделить всё

http://dx.doi.org/10.1007/BF00533485

+++ 5) Rick A. Kendall and Herbert A. Frücht // The impact of the resolution of the identity approximate integral method on modern ab initio algorithm development // Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 1997, Volume 97, Numbers 1-4, Pages 158-163

Код: Выделить всё

http://dx.doi.org/10.1007/s002140050249

+++ Des*nformaw*rld

+++ 6) P. C. Hariharan and J. A. Pople // Accuracy of AHn equilibrium geometries by single determinant molecular orbital theory // Molecular Physics, 1974, Volume 27, Issue 1, Pages 209 - 214

Код: Выделить всё

http://dx.doi.org/10.1080/00268977400100171

+++ NRC R*SEARCH PR*SS SCI*NTIFIC P*BLISHING

+++ 7) S. H. Vosko, L. Wilk, and M. Nusair // Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis // Canadian Journal of Physics, 1980, Volume 58, Number 8, Pages 1200–1211

Код: Выделить всё

http://dx.doi.org/10.1139/p80-159

+++ Wil* *nt*rsc*enc* (часть оригинальных doi у меня не работает)

+++ J. A. Pople, D. L. Beveridge, N. S. Ostlund // Recent progress in approximate self-consistent-field theory // International Journal of Quantum Chemistry, 1967, Volume 1 Issue S1, Pages 293 - 305

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560010635
http://www3.interscience.wiley.com/cgi-bin/fulltext/122459920/PDFSTART

+++ 9) J. A. Pople // Electronic states and wave functions associated with orbital energy crossing // International Journal of Quantum Chemistry, 1971, Volume 5 Issue S5, Pages 175 - 182

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560050823
http://www3.interscience.wiley.com/cgi-bin/fulltext/122459967/PDFSTART

+++ 10) J. S. Binkley, J. A. Pople // Møller-Plesset theory for atomic ground state energies // International Journal of Quantum Chemistry, 1975, Volume 9 Issue 2, Pages 229 - 236

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560090204

+++ 11) John A. Pople, J. Stephen Binkley, Rolf Seeger // Theoretical models incorporating electron correlation // International Journal of Quantum Chemistry, 1976, Volume 10 Issue S10, Pages 1 - 19

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560100802
http://www3.interscience.wiley.com/cgi-bin/fulltext/122460410/PDFSTART

+++ 12) J. A. Pople, R. Seeger, R. Krishnan // Variational configuration interaction methods and comparison with perturbation theory // International Journal of Quantum Chemistry, 1977, Volume 12 Issue S11, Pages 149 - 163

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560120820
http://www3.interscience.wiley.com/cgi-bin/fulltext/122460463/PDFSTART

+++ 13) R. Krishnan, J. A. Pople // Approximate fourth-order perturbation theory of the electron correlation energy // International Journal of Quantum Chemistry, 1978, Volume 14 Issue 1, Pages 91 - 100

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560140109

+++ 14) Sid Topiol, John A. Pople // Effective core potential calculations for some hydrocarbons // International Journal of Quantum Chemistry, 1978, Volume 14 Issue S12, Pages 323 - 328

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560140825
http://www3.interscience.wiley.com/cgi-bin/fulltext/122460625/PDFSTART

+++ 15) R. Krishnan, J. A. Pople // Approximate fourth-order perturbation theory of the electron correlation energy // International Journal of Quantum Chemistry, 1978, Volume 14 Issue 1, Pages 91 - 100

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560140109

+++ 16) J. A. Pople, R. Krishnan, H. B. Schlegel, J. S. Binkley // Electron correlation theories and their application to the study of simple reaction potential surfaces // International Journal of Quantum Chemistry, 1978, Volume 14 Issue 5, Pages 545 - 560

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560140503

+++ 17) J. A. Pople, R. Krishnan, H. B. Schlegel, J. S. Binkley // Derivative studies in hartree-fock and møller-plesset theories // International Journal of Quantum Chemistry, 1979, Volume 16 Issue S13, Pages 225 - 241

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560160825
http://www3.interscience.wiley.com/cgi-bin/fulltext/122460711/PDFSTART

+++ 18) J. A. Pople, H. B. Schlegel, R. Krishnan, D. J. Defrees, J. S. Binkley, M. J. Frisch, R. A. Whiteside, R. F. Hout, W. J. Hehre // Molecular orbital studies of vibrational frequencies // International Journal of Quantum Chemistry, 1981, Volume 20 Issue S15, Pages 269 - 278

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560200829
http://www3.interscience.wiley.com/cgi-bin/fulltext/122461610/PDFSTART

+++ 19) Krishnan Raghavachari, John A. Pople // Calculation of one-electron properties using limited configuration interaction techniques // International Journal of Quantum Chemistry, 1981, Volume 20 Issue 5, Pages 1067 - 1071

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560200503

+++ 20) John A. Pople, Michael J. Frisch, Brian T. Luke, J. Stephen Binkley // A moller-plesset study of the energies of AHn molecules (A = Li to F) // International Journal of Quantum Chemistry, 1983, Volume 24 Issue S17, Pages 307 - 320

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560240835
http://www3.interscience.wiley.com/cgi-bin/fulltext/122506861/PDFSTART

+++ 21) L. A. Curtiss, J. A. Pople // Theoretical studies of the interaction of H2O with small clusters of beryllium atoms // International Journal of Quantum Chemistry, 1985, Volume 28 Issue S19, Pages 613 - 628

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560280855
http://www3.interscience.wiley.com/cgi-bin/fulltext/122461815/PDFSTART

+++ 22) J. A. Pople, M. Head-Gordon, Krishnan Raghavachari // Corrections to correlations energies beyond fourth order moller-plesset (MP4) perturbation theory. Contributions of single, double, and triple substitutions // International Journal of Quantum Chemistry, 1988, Volume 34 Issue S22, Pages 377 - 382

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560340842

+++ 23) Teresa Head-Gordon, Martin Head-Gordon, Michael J. Frisch, Charles Brooks III, John Pople // A theoretical study of alanine dipeptide and analogs // International Journal of Quantum Chemistry, 1989, Volume 36 Issue S16, Pages 311 - 322

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560360725
http://www3.interscience.wiley.com/cgi-bin/fulltext/122461888/PDFSTART

+++ 24) Martin Head-Gordon, John A. Pople, Michael J. Frisch // Quadratically convergent simultaneous optimization of wavefunction and geometry // International Journal of Quantum Chemistry, 1989, Volume 36 Issue S23, Pages 291 - 303

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560360833
http://www3.interscience.wiley.com/cgi-bin/fulltext/122462040/PDFSTART

+++ 25) Peter M. W. Gill, Martin Head-Gordon, John A. Pople // An efficient algorithm for the generation of two-electron repulsion integrals over gaussian basis functions // International Journal of Quantum Chemistry, 1989, Volume 36 Issue S23, Pages 269 - 280

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560360831
http://www3.interscience.wiley.com/cgi-bin/fulltext/122462071/PDFSTART

+++ 26) John A. Pople // The origin of PPP theory // International Journal of Quantum Chemistry, 1990, Volume 37 Issue 4, Pages 349 - 371

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560370408

+++ 27) Peter M. W. Gill, Benny G. Johnson, John A. Pople // Two-electron repulsion integrals over Gaussian s functions // International Journal of Quantum Chemistry, 1991, Volume 40 Issue 6, Pages 745 - 752

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560400604

+++ 28) Peter M. W. Gill, John A. Pople // The prism algorithm for two-electron integrals // International Journal of Quantum Chemistry, 1991, Volume 40 Issue 6, Pages 753 - 772

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560400605

+++ 29) Benny G. Johnson, Peter M. W. Gill, John A. Pople // Exact and approximate solutions to the one-center McMurchie-Davidson tree-search problem // International Journal of Quantum Chemistry, 1991, Volume 40 Issue 6, Pages 809 - 827

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560400610

+++ 30) Peter M. W. Gill, Benny G. Johnson, John A. Pople, Michael J. Frisch // An investigation of the performance of a hybrid of Hartree-Fock and density functional theory // International Journal of Quantum Chemistry, 1992, Volume 44 Issue S26, Pages 319 - 331

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560440828

+++ 31) Theresa L. Windus, John A. Pople // Pinnacle: An approach toward object oriented quantum chemistry // International Journal of Quantum Chemistry, 1995, Volume 56 Issue S29, Pages 485 - 495

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560560852

+++ 32) John A. Pople, Peter M. W. Gill, Nicholas C. Handy // Spin-unrestricted character of Kohn-Sham orbitals for open-shell systems // International Journal of Quantum Chemistry, 1995, Volume 56 Issue 4, Pages 303 - 305

Код: Выделить всё

http://dx.doi.org/10.1002/qua.560560414

Заранее благодарю

[Viksya]

22-32

[pokoleg]

Шпрингер

[Viksya]

8-21

[SSR]

Огромное спасибо, Viksya и pokoleg

[SergSam]

1-3

[Himera]

6

[SSR]

SergSam и Himera, спасибо большое

[SergSam]

7

[SSR]

SergSam, еще раз спасибо!

[Abwer]

Заглавие главное правильное. Чтоб никто не пугался