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1

Thermal Decomposition Pathways and Rates for Silane, Chlorosilane, Dichlorosilane, and Trichlorosilane

Walch, Stephen P., Dateo, Christopher E.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 103 KB

english, 2001

2

Numerical solutions of the time-dependent Schrödinger equation in spherical coordinates by Fourier transform methods

Christopher E. Dateo, Volker Engel, Raphael Almeida, Horia Metiu

Journal:

Computer Physics Communications

Year:

1991

Language:

english

File:

PDF, 826 KB

english, 1991

3

Accurate ab Initio Quartic Force Fields, Vibrational Frequencies, and Heats of Formation for FCN, FNC, ClCN, and ClNC

Lee, Timothy J., Martin, Jan M. L., Dateo, Christopher E., Taylor, Peter R.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 752 KB

english, 1995

4

Kinetics of nucleic acid–large ligand interactions: Multiplet-closure approximations and matrix-iteration techniques

Christopher Dateo, Irving R. Epstein

Journal:

Year:

1981

Language:

english

File:

PDF, 867 KB

english, 1981

5

A global ab initio potential for HCN/HNC, exact vibrational energies, and comparison for experiment

Joseph A. Bentley, Joel M. Bowman, Bela Gazdy, Timothy J. Lee, Christopher E. Dateo

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 608 KB

english, 1992

6

The molecular structure of cis-FONO

Timothy J. Lee, Charles W. Bauschlicher Jr., Christopher E. Dateo, Julia E. Rice

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 405 KB

english, 1994

7

Reactive resonances in the N + N2 exchange reaction

Dunyou Wang, Winifred M Huo, Christopher E Dateo, David W Schwenke, James R Stallcop

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 256 KB

english, 2003

8

Molecular data for a biochemical model of DNA damage: Electron impact ionization and dissociative ionization cross sections of DNA bases and sugar-phosphate backbone

Winifred M. Huo, Christopher E. Dateo, Graham D. Fletcher

Journal:

Radiation Measurements

Year:

2006

Language:

english

File:

PDF, 416 KB

english, 2006

9

Towards the synthesis of the high energy density material TdN4: excited electronic states

Timothy J Lee, Christopher E Dateo

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 166 KB

english, 2001

10

An accurate ab initio quartic force field and vibrational frequencies for cyclopropenylidene

Christopher E. Dateo, Timothy J. Lee

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

1997

Language:

english

File:

PDF, 1.10 MB

english, 1997

11

Accurate spectroscopic characterization of 12C14N−, 13C14N−, and 12C15N−

Timothy J. Lee, Christopher E. Dateo

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

1999

Language:

english

File:

PDF, 102 KB

english, 1999

12

Numerical solution of the time-dependent Schrödinger equation in spherical coordinates by Fourier-transform methods

Dateo, Christopher E., Metiu, Horia

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 875 KB

english, 1991

13

Reactions of SiCl 2 and SiHCl with H and Cl Atoms

Walch, Stephen P., Dateo, Christopher E.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 92 KB

english, 2002

14

Rotational temperature dependence of the branching ratio for the reaction of O+ with HD

Viggiano, A. A., Van Doren, Jane M., Morris, Robert A., Williamson, John S., Mundis, Paul L., Paulson, John F., Dateo, Christopher E.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 662 KB

english, 1991

15

[American Institute of Aeronautics and Astronautics 42nd AIAA Aerospace Sciences Meeting and Exhibit - Reno, Nevada ()] 42nd AIAA Aerospace Sciences Meeting and Exhibit - Quantum Scattering Study of Ro-vibrational Excitations in N+N_2 Collisions Under Re-entry Conditions

Wang, Dunyou, Dateo, Christopher, Huo, Winifred, Schwenke, David, Stallcop, James

Year:

2004

Language:

english

File:

PDF, 1.62 MB

english, 2004

16

Quantum study of the N+N[sub 2] exchange reaction: State-to-state reaction probabilities, initial state selected probabilities, Feshbach resonances, and product distributions

Wang, Dunyou, Huo, Winifred M., Dateo, Christopher E., Schwenke, David W., Stallcop, James R.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 637 KB

english, 2004

17

Quantal study of the exchange reaction for N+N[sub 2] using an ab initio potential energy surface

Wang, Dunyou, Stallcop, James R., Huo, Winifred M., Dateo, Christopher E., Schwenke, David W., Partridge, Harry

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 236 KB

english, 2003

18

Systematic design of chemical oscillators. 11. Chlorite oscillators: new experimental examples, tristability, and preliminary classification

Orban, Miklos, Dateo, Christopher, De Kepper, Patrick, Epstein, Irving R.

Journal:

Journal of the American Chemical Society

Year:

1982

Language:

english

File:

PDF, 1013 KB

english, 1982

19

Systematic design of chemical oscillators. 5. Bistability and oscillations in the autocatalytic chlorite-iodide reaction in a stirred-flow reactor

Dateo, Christopher E., Orban, Miklos, De Kepper, Patrick, Epstein, Irving R.

Journal:

Journal of the American Chemical Society

Year:

1982

Language:

english

File:

PDF, 653 KB

english, 1982

20

Thermal Decomposition Pathways and Rates for Dimethylaluminum Hydride

Walch, Stephen P., Dateo, Christopher E.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 80 KB

english, 2001

21

Isotopic branching ratio for the O++ HD reaction

Dateo, Christopher E., Clary, David C.

Journal:

Journal of the Chemical Society Faraday Transactions 2

Year:

1989

Language:

english

File:

PDF, 864 KB

english, 1989

22

The effect of approximating some molecular integrals in coupled-cluster calculations: fundamental frequencies and rovibrational spectroscopic constants for isotopologues of cyclopropenylidene

Lee, Timothy J., Huang, Xinchuan, Dateo, Christopher E.

Journal:

Molecular Physics

Year:

2009

Language:

english

File:

PDF, 185 KB

english, 2009

23

An analysis of chlorine and bromine oxygen bonding and its implications for stratospheric chemistry

Lee, Timothy J., Dateo, Christopher E., Rice, Julia E.

Journal:

Molecular Physics

Year:

1999

Language:

english

File:

PDF, 1.03 MB

english, 1999

24

An accurate quartic force field and vibrational frequencies for HNO and DNO

Dateo, Christopher E., Lee, Timothy J., Schwenke, David W.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 778 KB

english, 1994

25

Ab initio quartic force fields for anions: A benchmark study on [sup 16]OH[sup −], [sup 18]OH[sup −], and [sup 16]OD[sup −]

Lee, Timothy J., Dateo, Christopher E.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 357 KB

english, 1997

26

Ab initio vibrational levels for HO2 and vibrational splittings for hydrogen atom transfer

Barclay, V. J., Dateo, Christopher E., Hamilton, I. P.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 841 KB

english, 1994

27

Iron Catalyst Chemistry in Modeling a High-Pressure Carbon Monoxide Nanotube Reactor

Scott, Carl D., Povitsky, Alexander, Dateo, Christopher, Gökçen, Tahir, Willis, Peter A., Smalleyd, Richard E.

Journal:

Journal of Nanoscience and Nanotechnology

Year:

2003

Language:

english

File:

PDF, 716 KB

english, 2003

28

Density functional and coupled-cluster study on the HNO→HON transition state

Alikhani, M. E., Dateo, Christopher E., Lee, Timothy J.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 309 KB

english, 1997

29

Anomalous symmetries of the rovibrational states of HO2: Consequences of a conical intersection

Barclay, V. J., Dateo, Christopher E., Hamilton, I. P., Kendrick, Brian, T Pack, Russell, Schwenke, David W.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 396 KB

english, 1995

30

Ab initio calculation of a global potential, vibrational energies, and wave functions for HCN/HNC, and a simulation of the Ã–X̃ emission spectrum

Bowman, Joel M., Gazdy, Bela, Bentley, Joseph A., Lee, Timothy J., Dateo, Christopher E.

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.37 MB

english, 1993

31

Vibrational predissociation of methylnitrite using phase-locked ultrashort laser pulses

Dateo, Christopher E., Metiu, Horia

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 799 KB

english, 1993

32

The heat of formation of HNO

Lee, Timothy J., Dateo, Christopher E.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 277 KB

english, 1995

33

Accurate quartic force fields and vibrational frequencies for hydrogen cyanide and hydrogen isocyanide

Lee, Timothy J., Dateo, Christopher E., Gazdy, Bela, Bowman, Joel M.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 871 KB

english, 1993

34

Erratum: ‘‘Ab initio vibrational levels for HO2 and vibrational splittings for hydrogen atom transfer’’ [J. Chem. Phys. 101, 6766 (1994)]

Barclay, V. J., Dateo, Christopher E., Hamilton, I. P.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 355 KB

english, 1995

35

Modeling of the HiPco Process for Carbon Nanotube Production. II. Reactor-Scale Analysis

Gökçen, Tahir, Dateo, Christopher E., Meyyappan, M.

Journal:

Journal of Nanoscience and Nanotechnology

Year:

2002

Language:

english

File:

PDF, 504 KB

english, 2002

36

Modeling of the HiPco Process for Carbon Nanotube Production. I. Chemical Kinetics

Dateo, Christopher E., Gökçen, Tahir, Meyyappan, M.

Journal:

Journal of Nanoscience and Nanotechnology

Year:

2002

Language:

english

File:

PDF, 390 KB

english, 2002