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1

Ab initio predictions of large hyperpolarizability push-pull polymers. Julolidinyl-n-isoxazolone and julolidinyl-n-N,N′-diethylthiobarbituric acid

Daqi Lu, Bryan Marten, Yixiang Cao, Murco N. Ringnalda, Richard A. Friesner, William A. Goddard III

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 411 KB

english, 1995

2

Saturation of the second hyperpolarizability for polyacetylenes

Daqi Lu, Bryan Marten, Murco Ringnalda, Richard A. Friesner, William A. Goddard III

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 371 KB

english, 1996

3

Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory

Tannor, David J., Marten, Bryan, Murphy, Robert, Friesner, Richard A., Sitkoff, Doree, Nicholls, Anthony, Honig, Barry, Ringnalda, Murco, Goddard, William A.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 984 KB

english, 1994

4

Correlated ab Initio Electronic Structure Calculations for Large Molecules

Friesner, Richard A., Murphy, Robert B., Beachy, Michael D., Ringnalda, Murco N., Pollard, W. Thomas, Dunietz, Barry D., Cao, Yixiang

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 165 KB

english, 1999

5

Pseudospectral Hartree–Fock theory: Applications and algorithmic improvements

Ringnalda, Murco N., Belhadj, Mahfoud, Friesner, Richard A.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 1.16 MB

english, 1990

6

New pseudospectral algorithms for electronic structure calculations: Length scale separation and analytical two-electron integral corrections

Greeley, Burnham H., Russo, Thomas V., Mainz, Daniel T., Friesner, Richard A., Langlois, Jean-Marc, Goddard, William A., Donnelly, Robert E., Ringnalda, Murco N.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.40 MB

english, 1994

7

New Model for Calculation of Solvation Free Energies: Correction of Self-Consistent Reaction Field Continuum Dielectric Theory for Short-Range Hydrogen-Bonding Effects

Marten, Bryan, Kim, Kyungsun, Cortis, Christian, Friesner, Richard A., Murphy, Robert B., Ringnalda, Murco N., Sitkoff, Doree, Honig, Barry

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 477 KB

english, 1996

8

Pseudospectral generalized valence-bond calculations: Application to methylene, ethylene, and silylene

Langlois, Jean-Marc, Muller, Richard P., Coley, Terry R., Goddard, William A., Ringnalda, Murco N., Won, Youngdo, Friesner, Richard A.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 994 KB

english, 1990

9

Pseudospectral contracted configuration interaction from a generalized valence bond reference

Murphy, Robert B., Friesner, Richard A., Ringnalda, Murco N., Goddard, William A.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.05 MB

english, 1994

10

A generalized direct inversion in the iterative subspace approach for generalized valence bond wave functions

Muller, Richard P., Langlois, Jean-Marc, Ringnalda, Murco N., Friesner, Richard A., Goddard, William A.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 995 KB

english, 1994

11

Nuclear-magnetic-resonance shielding constants calculated by pseudospectral methods

Cao, Yixiang, Beachy, Michael D., Braden, Dale A., Morrill, Laurie, Ringnalda, Murco N., Friesner, Richard A.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 340 KB

english, 2005

12

Pseudospectral Hartree–Fock gradient calculations

Won, Youngdo, Lee, Jung-Goo, Ringnalda, Murco N., Friesner, Richard A.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 703 KB

english, 1991

13

Pseudospectral Hartree–Fock calculations on glycine

Ringnalda, Murco N., Won, Youngdo, Friesner, Richard A.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 1.06 MB

english, 1990

14

Co-ordination of Reading and Writing

Review by: Murco Ringnalda and Margaret B. Ringnalda

Journal:

College English

Year:

1940

Language:

english

File:

PDF, 268 KB

english, 1940

15

Pseudospectral localized Mo/ller–Plesset methods: Theory and calculation of conformational energies

Murphy, Robert B., Beachy, Michael D., Friesner, Richard A., Ringnalda, Murco N.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 336 KB

english, 1995