Celeste McMichael Rohlfing: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

1

Microscopic evidence that the nitromethane aci ion is a rate controlling species in the detonation of liquid nitromethane

Engelke, Ray, Earl, William L., Rohlfing, Celeste McMichael

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 689 KB

english, 1986

2

An effective core potential study of the mono- and tetracarbonyls of Ni, Pd, and Pt

Rohlfing, Celeste McMichael, Hay, P. Jeffrey

Journal:

The Journal of Chemical Physics

Year:

1985

Language:

english

File:

PDF, 1.06 MB

english, 1985

3

The structure of (H3O2)−

Rohlfing, Celeste McMichael

Journal:

The Journal of Chemical Physics

Year:

1983

Language:

english

File:

PDF, 654 KB

english, 1983

4

Conformationally induced localization in the electronic structure of polysilanes

Ortiz, J. V., Rohlfing, Celeste McMichael

Journal:

Year:

1993

Language:

english

File:

PDF, 770 KB

english, 1993

5

Theoretical characterization of the lowest three potential surfaces of HNO. I. The potential for H atom addition to NO

Walch, Stephen P., Rohlfing, Celeste McMichael

Journal:

The Journal of Chemical Physics

Year:

1989

Language:

english

File:

PDF, 922 KB

english, 1989

6

An effective core potential investigation of Ni, Pd, and Pt and their monohydrides

Rohlfing, Celeste McMichael, Hay, P. Jeffrey, Martin, Richard L.

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1010 KB

english, 1986

7

Imperfect fullerene structures: isomers of C60

Raghavachari, Krishnan, Rohlfing, Celeste McMichael

Journal:

Journal of Physical Chemistry

Year:

1992

Language:

english

File:

PDF, 496 KB

english, 1992

8

Ground state of C70O: oxygen bridging at the equatorial belt

Krishnan Raghavachari, Celeste McMichael Rohlfing

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 344 KB

english, 1992

9

Molecular orbital studies on cyclic sulfur clusters: S6S12

Krishnan Raghavachari, Celeste McMichael Rohlfing, John Stephen Binkley

Journal:

International Journal of Mass Spectrometry and Ion Processes

Year:

1990

Language:

english

File:

PDF, 961 KB

english, 1990

10

C60H4: Kinetics and Thermodynamics of Multiple Addition to C60

Dr. Craig C. Henderson, Dr. Celeste McMichael Rohlfing, Dr. Roger A. Assink, Dr. Paul A. Cahill

Journal:

Angewandte Chemie International Edition

Year:

1994

Language:

english

File:

PDF, 358 KB

english, 1994

11

The use of ab initio electronic structure energies in the semi-classical calculation of vibrational spectra

M.L. Koszykowski, Celeste McMichael Rohlfing, D.W. Noid

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 386 KB

english, 1987

12

Transition state structures and energetics using Gaussian-2 theory

Durant, Joseph L., Rohlfing, Celeste McMichael

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 716 KB

english, 1993

13

Theoretical characterization of the minimum energy path for hydrogen atom addition to N2: Implications for the unimolecular lifetime of HN2

Walch, Stephen P., Duchovic, Ronald J., Rohlfing, Celeste McMichael

Journal:

The Journal of Chemical Physics

Year:

1989

Language:

english

File:

PDF, 1.13 MB

english, 1989

14

Electronic structures and photoelectron spectra of Si−3 and Si−4

McMichael Rohlfing, Celeste, Raghavachari, Krishnan

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 522 KB

english, 1992

15

Production of the nitromethane aci ion by UV irradiation: its effect on detonation sensitivity

Engelke, Ray, Earl, William L., Rohlfing, Celeste McMichael

Journal:

Journal of Physical Chemistry

Year:

1986

Language:

english

File:

PDF, 394 KB

english, 1986

16

Erratum: Theoretical characterization of the minimum energy path for the reaction H+O 2 →HO 2 *→HO+O [J. Chem. Phys. 8 8 , 6273 (1988)]

Walch, Stephen P., Rohlfing, Celeste McMichael, Melius, Carl F., Bauschlicher, Charles W.

Journal:

The Journal of Chemical Physics

Year:

1989

Language:

english

File:

PDF, 525 KB

english, 1989

17

Theoretical characterization of the potential energy surface for H+O2→HO∗2→HO+O. II. The potential for H atom exchange in HO2

Walch, Stephen P., Rohlfing, Celeste McMichael

Journal:

The Journal of Chemical Physics

Year:

1989

Language:

english

File:

PDF, 506 KB

english, 1989

18

The effects of basis set and electron correlation on the structure and stability of Be4 and Be13

Celeste Mcmichael Rohlfing, J.Stephen Binkley

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 475 KB

english, 1987

19

Ab initio studies of substituted diamond-like carbon clusters

Jianjun Liu, Martin W. Feyereisen, Jan Almlöf, Celeste McMichael Rohlfing, Svein Sæbø

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 384 KB

english, 1991

20

An ab initio analysis of the electronic structure and harmonic frequencies of nickel porphyrin

Mari Carmen Piqueras, Celeste McMichael Rohlfing

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1997

Language:

english

File:

PDF, 386 KB

english, 1997

21

Proton chemical shift tensors in hydrogen-bonded dimers of RCOOH and ROH

Rohlfing, Celeste McMichael, Allen, Leland C., Ditchfield, Robert

Journal:

The Journal of Chemical Physics

Year:

1983

Language:

english

File:

PDF, 972 KB

english, 1983

22

Importance of enolate anions in the high-pressure kinetics of nitroalkanes and nitroaromatics

Ray Engelke, William L. Earl, Celeste McMichael Rohlfing

Journal:

International Journal of Chemical Kinetics

Year:

1986

Language:

english

File:

PDF, 560 KB

english, 1986

23

Structures and stabilities of sulfur clusters

Raghavachari, Krishnan, Rohlfing, Celeste McMichael, Binkley, John Stephen

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 1.01 MB

english, 1990

24

An extensive ab initio study of the structures, vibrational spectra, quadratic force fields, and relative energetics of three isomers of Cl2O2

Lee, Timothy J., Rohlfing, Celeste McMichael, Rice, Julia E.

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 1.37 MB

english, 1992

25

Theoretical determination of the dipole moment of carbon monophosphide, CP(X 2Σ+)

Celeste McMichael Rohlfing, Jan Almlöf

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 417 KB

english, 1988

26

An ab initio study of geometries, polarizabilities, and rotation barriers of polyphenylsilane oligomers

J.V. Ortiz, Celeste McMichael Rohlfing

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 144 KB

english, 1997

27

Fast beam photodissociation spectroscopy and dynamics of the vinoxy radical

Osborn, David L., Choi, Hyeon, Mordaunt, David H., Bise, Ryan T., Neumark, Daniel M., Rohlfing, Celeste McMichael

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 572 KB

english, 1997

28

Fragmentation of small silicon clusters

Krishnan Raghavachari, Celeste McMichael Rohlfing

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 595 KB

english, 1988

29

On correlation treatments of the nickel atom

Celeste McMichael Rohlfing, Richard L. Martin

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 385 KB

english, 1985

30

Theoretical studies of selected C60H2 and C70H2 isomers

Craig C. Henderson, Celeste McMichael Rohlfing, Paul A. Cahill

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 467 KB

english, 1993

31

The structure of cis-butadiene

Julia E. Rice, Bowen Liu, Timothy J. Lee, Celeste McMichael Rohlfing

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 707 KB

english, 1989

32

Resonant two-photon ionization spectroscopy of jet-cooled p-dichlorobenzene

Rohlfing, Eric A., Rohlfing, Celeste McMichael

Journal:

Journal of Physical Chemistry

Year:

1989

Language:

english

File:

PDF, 1.83 MB

english, 1989

33

C60H4: Kinetik und Thermodynamik der mehrfachen Addition an C60

Dr. Craig C. Henderson, Dr. Celeste Mcmichael Rohlfing, Dr. Roger A. Assink, Dr. Paul A. Cahill

Journal:

Angewandte Chemie

Year:

1994

Language:

german

File:

PDF, 376 KB

german, 1994

34

Theoretical characterization of the minimum energy path for the reaction H+O2→HO2∗→HO+O

Walch, Stephen P., Rohlfing, Celeste McMichael, Melius, Carl F., Bauschlicher, Charles W.

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 959 KB

english, 1988

35

The structure and bonding of F2O2

Rohlfing, Celeste McMichael, Hay, P. Jeffrey

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 627 KB

english, 1987

36

Calculation of the complete-active-space self-consistent-field potential-energy surface, the dipole moment surfaces, the rotation–vibration energies, and the vibrational transition moments for C3(X̃ 1Σ+g)

Jensen, Per, Rohlfing, Celeste McMichael, Almlöf, Jan

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 1.22 MB

english, 1992

37

Bonding and stabilities of small silicon clusters: A theoretical study of Si7–Si10

Raghavachari, Krishnan, Rohlfing, Celeste McMichael

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 1.38 MB

english, 1988

38

Photodissociation spectroscopy and dynamics of the HCCO free radical

Osborn, David L., Mordaunt, David H., Choi, Hyeon, Bise, Ryan T., Neumark, Daniel M., McMichael Rohlfing, Celeste

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 507 KB

english, 1997

39

An ab initio study of complexes between ethylene and ozone

McKee, Michael L., Rohlfing, Celeste McMichael

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 470 KB

english, 1989

40

Proton and carbon-13 chemical shifts: Comparison between theory and experiment

Celeste McMichael Rohlfing, Leland C. Allen, Robert Ditchfield

Journal:

Chemical Physics

Year:

1984

Language:

english

File:

PDF, 588 KB

english, 1984

41

Electronic structures of the negative ions Si−2 –Si−10: Electron affinities of small silicon clusters

Raghavachari, Krishnan, McMichael Rohlfing, Celeste

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 933 KB

english, 1991

42

Isomers of C78. Competition between electronic and steric factors

Krishnan Raghavachari, Celeste McMichael Rohlfing

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 480 KB

english, 1993

43

Erratum: Proton chemical shift tensors in hydrogen‐bonded dimers of RCOOH and ROH [J. Chem. Phys. 7 9 , 4958 (1983)]

Rohlfing, Celeste McMichael, Allen, Leland C., Ditchfield, Robert

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 609 KB

english, 1984

44

SiC2: A molecular pinwheel

Ross, Stephen C., Butenhoff, Thomas J., Rohlfing, Eric A., Rohlfing, Celeste McMichael

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.72 MB

english, 1994

45

Hartree-Fock symmetry-breaking in magnesium and nickel porphyrins

Mari Carmen Piqueras, Celeste McMichael Rohlfing

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 364 KB

english, 1996

46

A theoretical study of the isovalent diatomics carbon dimer, silicon dimer, and silicon monocarbide

Rohlfing, Celeste McMichael, Martin, Richard L.

Journal:

Journal of Physical Chemistry

Year:

1986

Language:

english

File:

PDF, 593 KB

english, 1986

47

Proton chemical shift tensors in neutral and ionic OH⋯O hydrogen bonds

Celeste McMichael Rohlfing, Leland C. Allen, Robert Ditchfield

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 273 KB

english, 1982

48

A Theoretical Study of the Structural Isomers of Phosphaazarine

Winburn, Ryan S., Reems, Brent R., Hoffmann, Mark R., Rohlfing, Celeste Mcmichael

Journal:

Main Group Chemistry

Year:

1996

Language:

english

File:

PDF, 683 KB

english, 1996

49

A theoretical study of small silicon clusters using an effective core potential

Celeste McMichael Rohlfing, Krishnan Raghavachari

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 505 KB

english, 1990

50

Structures of Si10. Are there conventionally bonded low-energy isomers?

Krishnan Raghavachari, Celeste McMichael Rohlfing

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 453 KB

english, 1992

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Z-Library Since 2009 support@1delivery.pm

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски