Mark A Ratner

  • 62911 Citations
1970 …2022

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6-31G* basis set for atoms K through Zn

Rassolov, V. A., Pople, J. A., Ratner, M. A. & Windus, T. L., Dec 1 1998, In : Journal of Chemical Physics. 109, 4, p. 1223-1229 7 p.

Research output: Contribution to journalArticle

1289 Scopus citations

6-31G* basis set for third-row atoms

Rassolov, V. A., Ratner, M. A., Pople, J. A., Redfern, P. C. & Curtiss, L. A., Jan 1 2001, In : Journal of Computational Chemistry. 22, 9, p. 976-984 9 p.

Research output: Contribution to journalArticle

1347 Scopus citations

Ab-initio calculation, using ab-initio pseudopotentials, of some electronic properties of ethane, methylsilane and disilane

Topiol, S., Ratner, M. A. & Moskowitz, J. W., Feb 15 1977, In : Chemical Physics. 20, 1, p. 1-7 7 p.

Research output: Contribution to journalArticle

19 Scopus citations

Ab initio calculations of the deformation of polyethylene

Crist, B., Ratner, M. A., Brower, A. L. & Sabin, J. R., Dec 1 1979, In : Journal of Applied Physics. 50, 10, p. 6047-6051 5 p.

Research output: Contribution to journalArticle

43 Scopus citations

Ab-initio electronic structure studies of mobility paths in fast-ion conductors-I. Results for MI4-3 clusters

McOmber, J. I., Topiol, S., Ratner, M. A., Shriver, D. F. & Moskowitz, J. W., Jan 1 1980, In : Journal of Physics and Chemistry of Solids. 41, 5, p. 447-453 7 p.

Research output: Contribution to journalArticle

8 Scopus citations

Ab initio molecular orbital studies of polyethylene deformation

Brower, A. L., Sabin, J. R., Crist, B. & Ratner, M. A., Jan 1 1980, In : International Journal of Quantum Chemistry. 18, 2, p. 651-654 4 p.

Research output: Contribution to journalArticle

16 Scopus citations

Ab initio Studies, using the FSGO-pseudopotential method, of the electronic structure in group IV cluster molecules M(LH3)4; M, L = C, Si, Ge

Toman, J. J., Frost, A. A., Topiol, S., Jacobson, S. & Ratner, M. A., Dec 1 1981, In : Theoretica Chimica Acta. 58, 4, p. 285-294 10 p.

Research output: Contribution to journalArticle

19 Scopus citations

Absolute rates of hole transfer in DNA

Senthilkumar, K., Grozema, F. C., Guerra, C. F., Bickelhaupt, F. M., Lewis, F. D., Berlin, Y. A., Ratner, M. A. & Siebbeles, L. D. A., Nov 1 2005, In : Journal of the American Chemical Society. 127, 42, p. 14894-14903 10 p.

Research output: Contribution to journalArticle

271 Scopus citations
1 Scopus citations

Accurate prediction of band gaps in neutral heterocyclic conjugated polymers

Hutchison, G. R., Ratner, M. A. & Marks, T. J., Nov 7 2002, In : Journal of Physical Chemistry A. 106, 44, p. 10596-10605 10 p.

Research output: Contribution to journalArticle

129 Scopus citations

A conformational study of the influence of vibrations on conduction in molecular wires

Olson, M., Mao, Y., Windus, T., Kemp, M., Ratner, M., Léon, N. & Mujica, V., Feb 5 1998, In : Journal of Physical Chemistry B. 102, 6, p. 941-947 7 p.

Research output: Contribution to journalArticle

57 Scopus citations

A coupled-mode model relating Raman line shape to high ionic conductivity

Nitzan, A., Ratner, M. A. & Shriver, D. F., Dec 1 1979, In : The Journal of Chemical Physics. 72, 5, p. 3320-3326 7 p.

Research output: Contribution to journalArticle

16 Scopus citations

Activated Conduction in Microscopic Molecular Junctions

Segal, D., Nitzan, A., Ratner, M. & Davis, W. B., Apr 6 2000, In : Journal of Physical Chemistry B. 104, 13, p. 2790-2793 4 p.

Research output: Contribution to journalArticle

97 Scopus citations

Adiabatic and self-consistent-field approximations for coupled vibrations: A simple two-mode comparison

Roth, R. M. & Ratner, M. A., Dec 14 1984, In : Chemical Physics Letters. 112, 4, p. 322-327 6 p.

Research output: Contribution to journalArticle

8 Scopus citations

Adsorption of polar molecules on a molecular surface

Hutchison, G. R., Ratner, M. A., Marks, T. J. & Naaman, R., Apr 19 2001, In : Journal of Physical Chemistry B. 105, 15, p. 2883-2884 2 p.

Research output: Contribution to journalArticle

26 Scopus citations
6 Scopus citations

A first-order transition in the charge-induced conformational changes of polymers

Mao, Y., Burin, L. A., Ratner, M. A. & Jarrold, M. F., Jun 8 2002, In : Journal of Chemical Physics. 116, 22, p. 9964-9974 11 p.

Research output: Contribution to journalArticle

5 Scopus citations
16 Scopus citations

Algorithms for Computing Franck-Condon Overlap Integrals

Ruhoff, P. T. & Ratner, M. A., Mar 5 2000, In : International Journal of Quantum Chemistry. 77, 1, p. 383-392 10 p.

Research output: Contribution to journalArticle

70 Scopus citations

All-atom numerical studies of self-assembly of zwitterionic peptide amphiphiles

Tsonchev, S., Troisi, A., Schatz, G. C. & Ratner, M. A., Sep 30 2004, In : Journal of Physical Chemistry B. 108, 39, p. 15278-15284 7 p.

Research output: Contribution to journalArticle

38 Scopus citations

A molecular complex model for the chemisorption of hydrogen on a nickel surface

Melius, C. F., Moskowitz, J. W., Mortola, A. P., Baillie, M. B. & Ratner, M. A., Sep 1976, In : Surface Science. 59, 1, p. 279-292 14 p.

Research output: Contribution to journalArticle

123 Scopus citations

An agent-based approach for modeling molecular self-organization

Troisi, A., Wong, V. & Ratner, M. A., Jan 11 2005, In : Proceedings of the National Academy of Sciences of the United States of America. 102, 2, p. 255-260 6 p.

Research output: Contribution to journalArticle

73 Scopus citations
2 Scopus citations
1 Scopus citations

A New, Simple ab Initio Pseudopotential for Use in Floating Spherical Gaussian Orbital Calculations. 2. Some Results for Hydrocarbons

Topiol, S., Frost, A. A., Moskowitz, J. W. & Ratner, M. A., Jan 1 1977, In : Journal of the American Chemical Society. 99, 13, p. 4276-4278 3 p.

Research output: Contribution to journalArticle

7 Scopus citations

A new, simple ab initio pseudopotential for use in FSGO calculations: Application to some lithium compounds

Topiol, S., Frost, A. A., Moskowitz, J. W. & Ratner, M. A., Jan 1 1977, In : The Journal of Chemical Physics. 66, 11, p. 5130-5132 3 p.

Research output: Contribution to journalArticle

5 Scopus citations

An exact dynamical solution to a linear chain doublet exciton with exponential memory

Ratner, M. A. & Swenberg, C. E., Dec 1 1978, In : Journal of Physics C: Solid State Physics. 11, 4, p. 707-718 12 p., 014.

Research output: Contribution to journalArticle

1 Scopus citations

Angular momentum dependence of pseudopotentials: calculation of the potential curve for HF

Topiol, S., Ratner, M. A. & Moskowitz, J. W., Mar 1 1977, In : Chemical Physics Letters. 46, 2, p. 256-259 4 p.

Research output: Contribution to journalArticle

14 Scopus citations

Anharmonic wave functions of proteins: Quantum self-consistent field calculations of BPTI

Roitberg, A., Benny Gerber, R., Elber, R. & Ratner, M. A., Jan 1 1995, In : Science. 268, 5215, p. 1319-1322 4 p.

Research output: Contribution to journalArticle

114 Scopus citations

Annals of the New York Academy Sciences: Introduction

Aviram, A., Mujica, V. & Ratner, M., Jan 1 2002, In : Annals of the New York Academy of Sciences. 960, p. vii

Research output: Contribution to journalArticle

Anomalous scaling properties of optical excitations in random media

Burin, A. L. & Ratner, M. A., Jan 1 1999, In : Proceedings of SPIE - The International Society for Optical Engineering. 3749, p. 601-602 2 p.

Research output: Contribution to journalArticle

Anomalous surface diffusion in nanoscale direct deposition processes

Manandhar, P., Jang, J., Schatz, G. C., Ratner, M. A. & Hong, S., Mar 21 2003, In : Physical review letters. 90, 11

Research output: Contribution to journalArticle

93 Scopus citations

Anomalous Surface Diffusion in Nanoscale Direct Deposition Processes

Manandhar, P., Jang, J., Schatz, G. C., Ratner, M. A. & Hong, S., Jan 1 2003, In : Physical Review Letters. 90, 11, 1 p.

Research output: Contribution to journalArticle

3 Scopus citations

A non-equilibrium equation-of-motion approach to quantum transport utilizing projection operators

Ochoa, M. A., Galperin, M. & Ratner, M. A., Nov 12 2014, In : Journal of Physics Condensed Matter. 26, 45, 455301.

Research output: Contribution to journalArticle

6 Scopus citations

A n-vector model for charge transport in molecular semiconductors

Jackson, N. E., Kohlstedt, K. L., Chen, L. X. & Ratner, M. A., Nov 28 2016, In : Journal of Chemical Physics. 145, 20, 204102.

Research output: Contribution to journalArticle

5 Scopus citations

A perturbed-mean-field approach to the decay rates of excited vibrational states in extended systems: An application to I2(Ne)n

Roitberg, A. E., Benny Gerber, R. & Ratner, M. A., Jan 1 1994, In : The Journal of Chemical Physics. 100, 6, p. 4355-4366 12 p.

Research output: Contribution to journalArticle

9 Scopus citations

Application of a screened INDO model (INDO/S) to spectroscopic properties of TCNQ and its anions

Krogh-Jespersen, K. & Ratner, M. A., Dec 1 1978, In : Theoretica Chimica Acta. 47, 4, p. 283-296 14 p.

Research output: Contribution to journalArticle

20 Scopus citations

Application of evolutionary algorithm methods to polypeptide folding: Comparison with experimental results for unsolvated Ac-(Ala-Gly-Gly) 5-LysH+

Damsbo, M., Kinnear, B. S., Hartings, M. R., Ruhoff, P. T., Jarrold, M. F. & Ratner, M. A., May 11 2004, In : Proceedings of the National Academy of Sciences of the United States of America. 101, 19, p. 7215-7222 8 p.

Research output: Contribution to journalArticle

19 Scopus citations

Applications of dynamic bond percolation theory to the dielectric response of polymer electrolytes

Druger, S. D., Ratner, M. A. & Nitzan, A., Jan 1986, In : Solid State Ionics. 18-19, PART 1, p. 106-111 6 p.

Research output: Contribution to journalArticle

34 Scopus citations

Approaches to polymeric nonlinear optical materials. Theoretical and synthetic design strategies

Li, D., Minami, N., Ratner, M. A., Ye, C., Marks, T. J., Yang, J. & Wong, G. K., Feb 20 1989, In : Synthetic Metals. 28, 3, p. D585-D593

Research output: Contribution to journalArticle

13 Scopus citations

Approximate inversion method for obtaining polyatomic potential energy surfaces from ro-vibrational spectra

Gerber, R. B., Roth, R. M. & Ratner, M. A., Dec 20 1981, In : Molecular Physics. 44, 6, p. 1335-1353 19 p.

Research output: Contribution to journalArticle

27 Scopus citations

A quantitative approximation for the quantum dynamics of hydrogen transfer: Transition state dynamics and decay in ClHCl-

McCoy, A. B., Gerber, R. B. & Ratner, M. A., Jan 1 1994, In : The Journal of Chemical Physics. 101, 3, p. 1975-1987 13 p.

Research output: Contribution to journalArticle

54 Scopus citations

A quasimolecular approach to the conductance of molecule-metal junctions: Theory and application to voltage-induced conductance switching

Gonzalez, C., Simón-Manso, Y., Batteas, J., Marquez, M., Ratner, M. & Mujica, V., Dec 2 2004, In : Journal of Physical Chemistry B. 108, 48, p. 18414-18420 7 p.

Research output: Contribution to journalArticle

29 Scopus citations

A rate constant expression for charge transfer through fluctuating bridges

Troisi, A., Nitzan, A. & Ratner, M. A., Sep 22 2003, In : Journal of Chemical Physics. 119, 12, p. 5782-5788 7 p.

Research output: Contribution to journalArticle

110 Scopus citations

Arene hapticity in (C 6H 6)Cr(CO) n (n = 1-5) complexes: A DFT study of singlet and triplet energy surfaces

Cohen, R., Weitz, E., Martin, J. M. L. & Ratner, M. A., May 10 2004, In : Organometallics. 23, 10, p. 2315-2325 11 p.

Research output: Contribution to journalArticle

24 Scopus citations

Are Transport Models Able to Predict Charge Carrier Mobilities in Organic Semiconductors?

Movaghar, B., Jones, L. O., Ratner, M. A., Schatz, G. C. & Kohlstedt, K. L., Dec 12 2019, In : Journal of Physical Chemistry C. 123, 49, p. 29499-29512 14 p.

Research output: Contribution to journalArticle

Open Access
1 Scopus citations

A semiclassical approximation for matrix elements involving non-orthogonal bound states

Buch, V., Ratner, M. A. & Gerber, R. B., Feb 10 1981, In : Molecular Physics. 42, 2, p. 497-500 4 p.

Research output: Contribution to journalArticle

8 Scopus citations

A semiclassical self-consistent field (SC SCF) approximation for eigenvalues of coupled-vibration systems

Gerber, R. B. & Ratner, M. A., Dec 1 1979, In : Chemical Physics Letters. 68, 1, p. 195-198 4 p.

Research output: Contribution to journalArticle

199 Scopus citations

A Silicon Ratchet to Produce Power from Below-Bandgap Photons

Lau, B., Kedem, O., Kodaimati, M., Ratner, M. A. & Weiss, E. A., Nov 22 2017, In : Advanced Energy Materials. 7, 22, 1701000.

Research output: Contribution to journalArticle