Works matching IS 00207608 AND DT 1982 AND VI 21 AND IP 3

Results: 63

On the removal of prigogine's quantum statistical 'degeneracy' in the theory of molecular systems.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 195, doi. 10.1002/qua.560220820

By:

Chatzidimitriou-Dreismann, C. A.;
Lippert, E.

Publication type:

Article

Some results on the relation between two projectors in hilbert space.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 666, doi. 10.1002/qua.560220860

By:

Nagel, Bengt

Publication type:

Article

Separate eigenvalue equations for the rotational constants for any potential in diatomic molecules.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 293, doi. 10.1002/qua.560220831

By:

Kobeissi, Hafez

Publication type:

Article

On the spectrum of negative ions and the charge density of the ground state of neutral neon.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 345, doi. 10.1002/qua.560220835

By:

Beck, Donald R.

Publication type:

Article

Dedication to Joseph E. Mayer.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 2, doi. 10.1002/qua.560220802

By:

Raveché, Harold J.

Publication type:

Article

Generalization of the kikuchi-hijmans-de boer method for order-disorder problems to complex lattices.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 117, doi. 10.1002/qua.560220813

By:

Rajabali, Gholomabbas;
Mazo, Robert M.

Publication type:

Article

A powerful procedure for optimizing AGP states.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 615, doi. 10.1002/qua.560220853

By:

Jensen, H. J. A. A.;
Weiner, B.;
Ortiz, J. V.;
Öhrn, Y.

Publication type:

Article

Fluid criticality near walls and between plates.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 237, doi. 10.1002/qua.560220824

By:

Fisher, Michael E.

Publication type:

Article

Shape dependence of the grand potential.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 671, doi. 10.1002/qua.560220864

By:

Buff, Frank P.

Publication type:

Article

Ab Initio Calculations of H2O → OH + H.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 445, doi. 10.1002/qua.560220842

By:

Alexander, S. A.;
Matsen, F. A.

Publication type:

Article

Fluctuation, response, and relaxation: The linear response theory revisited.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 25, doi. 10.1002/qua.560220806

By:

Kubo, Ryogo

Publication type:

Article

Product representation weights for brillouin zone integrals in the biquadratic limit.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 481, doi. 10.1002/qua.560220846

By:

Oriade, J. O.

Publication type:

Article

Perturbation theory for dipolar hard spheres.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 159, doi. 10.1002/qua.560220817

By:

Hecht, C. E.;
Henderson, D.;
Tani, A.

Publication type:

Article

Coordinate-rotated propagator calculation on an N2 shape resonance.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 653, doi. 10.1002/qua.560220857

By:

Donnelly, Robert A.

Publication type:

Article

Mobility of the fermi hole in a single-determinant wavefunction.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 265, doi. 10.1002/qua.560220828

By:

Luken, William L.;
Culberson, John C.

Publication type:

Article

Simulated ab initio molecular orbital methods for polymers.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 391, doi. 10.1002/qua.560220839

By:

Duke, Brian J.

Publication type:

Article

Ab Initio Molecular Orbital Studies of the Structure and Stability of the BeAl2F8 Complex.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 285, doi. 10.1002/qua.560220830

By:

Curtiss, L. A.;
Heinricher, A.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. fmi, doi. 10.1002/qua.560220801
Publication type:: Article

Intramolecular energy transfer and predissociation in C-state HCN.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 435, doi. 10.1002/qua.560220841

By:

Chuljian, D. T.;
Ozment, J.;
Simons, J.

Publication type:

Article

Cluster expansions for diffusion-controlled reactions.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 101, doi. 10.1002/qua.560220812

By:

Van Kampen, N. G.

Publication type:

Article

On the calculation of generalized antisymmetric geminal power (GAGP) wavefunctions.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 605, doi. 10.1002/qua.560220852

By:

Kurtz, Henry A.;
Elander, Nils

Publication type:

Article

Periodic flow instabilities in the wake of an ion.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 227, doi. 10.1002/qua.560220823

By:

Careri, Giorgio

Publication type:

Article

Application of configuration propagator theory to graphite intercalation compounds.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 669, doi. 10.1002/qua.560220863

By:

Tatar, Robert C.;
Rabii, Sohrab

Publication type:

Article

Analytic phase shifts for yukawa potentials.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 331, doi. 10.1002/qua.560220834

By:

Green, A. E. S.;
Rio, D. E.;
Schippnick, P. F.;
Schwartz, J. M.;
Ganas, P. S.

Publication type:

Article

Joseph Mayer and statistical mechanics.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 21, doi. 10.1002/qua.560220805

By:

Yang, Chen-Ning

Publication type:

Article

Chemical information theory: Structural aspects.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 463, doi. 10.1002/qua.560220845

By:

Bonchev, D.;
Trinajstić, N.

Publication type:

Article

Correlation-induced phase transitions in two-dimensional electron systems.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 149, doi. 10.1002/qua.560220816

By:

Isihara, A.;
Ioriatti, L.

Publication type:

Article

Computational strategy using improved virtual orbitals to ensure orthogonality of excited states to the ground state and to each other for calculation of transition matrix elements.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 649, doi. 10.1002/qua.560220856

By:

Kaufman, Joyce J.

Publication type:

Article

Waller-hartree ci calculations.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 259, doi. 10.1002/qua.560220827

By:

Lim, T. K.;
Jesudason, C. G.

Publication type:

Article

A self-consistent eikonal treatment of photodissociation by visible radiation.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 377, doi. 10.1002/qua.560220838

By:

Swaminathan, P. K.;
Micha, David A.

Publication type:

Article

The virial expansion in equilibrium and nonequilibrium statistical mechanics.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 63, doi. 10.1002/qua.560220809

By:

Dorfman, J. R.;
Cohen, E. G. D.

Publication type:

Article

Electron propagator studies of molecular anions.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 575, doi. 10.1002/qua.560220849

By:

Simons, Jack

Publication type:

Article

Theoretical and computational chemistry of complex systems: Solvation of DNA and proteins.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 409, doi. 10.1002/qua.560220840

By:

Clementi, E.;
Corongiu, G.;
Gratarola, M.;
Habitz, P.;
Lupo, C.;
Otto, P.;
Vercauteren, D.

Publication type:

Article

Computer simulation of the velocity autocorrelation function at low density.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 91, doi. 10.1002/qua.560220811

By:

Garland, Gregory E.;
Dufty, James W.

Publication type:

Article

Antisymmetrized geminal power (AGP) wave-functions in finite and extended systems.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 591, doi. 10.1002/qua.560220851

By:

Goscinski, Osvaldo

Publication type:

Article

Isoelectronic molecules: The 13-, 14-, and 22- electron diatomic sequences.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 215, doi. 10.1002/qua.560220822

By:

Laurenzi, B. J.;
Litto, C.

Publication type:

Article

Can there be a convergent perturbation theory of intermolecular energies?

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 319, doi. 10.1002/qua.560220833

By:

Adams, William H.

Publication type:

Article

Introduction to Dr. Chen-Ning Yang.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 19, doi. 10.1002/qua.560220804

By:

Band, William

Publication type:

Article

Nonlinear screening of positive and negative point charges in GaAs.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 457, doi. 10.1002/qua.560220844

By:

Csavinszky, P.;
Brownstein, K. R.

Publication type:

Article

Structure of the interface between coexisting fluid phases.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 137, doi. 10.1002/qua.560220815

By:

Stillinger, F. H.

Publication type:

Article

Propagator version of the direct siegert method.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 641, doi. 10.1002/qua.560220855

By:

Winkler, Peter

Publication type:

Article

Ab Initio MODPOT/VRDDO/MERGE calculations on energetic compounds. II. Nitroexplosives: RDX and α-, β- and δ-HMX.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 363, doi. 10.1002/qua.560220837

By:

Hariharan, P. C.;
Koski, Walter S.;
Kaufman, Joyce J.;
Miller, Richard S.;
Lowrey, Alfred H.

Publication type:

Article

Excess free energy changes for binary mixed electrolytes at vanishing ionic strengths.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 247, doi. 10.1002/qua.560220826

By:

Lim, T. K.

Publication type:

Article

Computer simulation of phase transitions in classical and quantum systems.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 49, doi. 10.1002/qua.560220808

By:

Alder, B. J.;
Ceperley, D. M.;
Pollock, E. L.

Publication type:

Article

Localized orbitals in the coupled cluster singles and doubles model.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 561, doi. 10.1002/qua.560220848

By:

Laidig, William D.;
Purvis, George D.;
Bartlett, Rodney J.

Publication type:

Article

A quantum statistical estimation of the amount of energy dissipated by molecular relaxation processes in liquids.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 183, doi. 10.1002/qua.560220819

By:

Lippert, E.;
Chatzidimitriou-Dreismann, C. A.

Publication type:

Article

Propagators in a model of polymer dynamics: The inclusion of chain-chain interactions in a model of polymer local main chain motion.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 665, doi. 10.1002/qua.560220859

By:

Yaris, Robert

Publication type:

Article

Nonlinear irreversible fluxes in a fluid with large shear rate.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 83, doi. 10.1002/qua.560220810

By:

Marchetti, M. Christina;
Dufty, James W.

Publication type:

Article

On the relations between the polarization propagator, the principal propagator, and the particle-hole propagator.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 583, doi. 10.1002/qua.560220850

By:

Oddershede, Jens

Publication type:

Article

Melting of short-chain polymers.

Published in:

International Journal of Quantum Chemistry, 1982, v. 21, n. 3, p. 205, doi. 10.1002/qua.560220821

By:

Naghizadeh, J.

Publication type:

Article