Grev, Roger S: search on Z-Library

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1

Striking similarities between elementary silicon and aluminum compounds: monobridged, dibridged, trans-bent, and vinylidene isomers of aluminum hydride (Al2H2)

Palagyi, Zoltan, Grev, Roger S, Schaefer, Henry F.

Journal:

Journal of the American Chemical Society

Year:

1993

Language:

english

File:

PDF, 951 KB

english, 1993

2

Dimethyldisilyne: a fleetingly observed species incorporating a triple bond?

Brenda S. Thies, Roger S. Grev, Henry F. Schaefer III

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 577 KB

english, 1987

3

Why metalloid-substituted unsaturated compounds are colored

Grev, Roger S., Schaefer, Henry F.

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 339 KB

english, 1989

4

Germyne, H–C[Triple Bond]Ge–H, and the excited states of 1-germavinylidene, H[sub 2]C[Double Bond]Ge

Stogner, Steven M., Grev, Roger S.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 367 KB

english, 1998

5

Relativistic effects in silicon chemistry: Are the experimental heats of formation of the silicon atom and SiH[sub 4] compatible?

Collins, Charlene L., Grev, Roger S.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 295 KB

english, 1998

6

Three-membered rings of carbon, silicon, and germanium. An analysis of thermodynamic stability to fragmentation

Horner, David A., Grev, Roger S., Schaefer, Henry F.

Journal:

Journal of the American Chemical Society

Year:

1992

Language:

english

File:

PDF, 839 KB

english, 1992

7

Pyrolysis jet spectroscopy and ab initio studies of the S1 and T1 states of germanium difluoride

Karolczak, J., Grev, Roger S., Clouthier, Dennis J.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 841 KB

english, 1994

8

Computational View of the Mechanism of Vinylphosphirane Pyrolysis and a New Route to Phosphaalkynes

Berger, Daniel J., Gaspar, Peter P., LeFloch, Pascal, Mathey, Francois, Grev, Roger S.

Journal:

Organometallics

Year:

1996

Language:

english

File:

PDF, 342 KB

english, 1996

9

Mechanistic, structural, and vibrational aspects of the dimerization of silaethylene

Seidl, Edward T., Grev, Roger S., Schaefer, Henry F.

Journal:

Journal of the American Chemical Society

Year:

1992

Language:

english

File:

PDF, 1.77 MB

english, 1992

10

Concerning the interaction of atomic silver with a silicon monoxide ligand

Quelch, Geoffrey E., Grev, Roger S., Schaefer, Henry F.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1989

Language:

english

File:

PDF, 282 KB

english, 1989

11

Comparison of variational transition state theory and the unified statistical model with vibrationally adiabatic transmission coefficients to accurate collinear rate constants for T+HD→TH+D

Garrett, Bruce C., Truhlar, Donald G., Grev, Roger S., Walker, Robert B.

Journal:

The Journal of Chemical Physics

Year:

1980

Language:

english

File:

PDF, 723 KB

english, 1980

12

Germanium-germanium multiple bonds: The singlet electronic ground state of Ge2H2

Roger S. Grev, Bradley J. Deleeuw, Henry F. Schaefer III

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 699 KB

english, 1990

13

Analytic energy second derivatives for general MCSCF wave functions

Handy, Nicholas C., Hoffmann, Mark R., Fox, Douglas J., Gaw, Jeffrey F., Osamura, Yoshihiro, Yamaguchi, Yukio, Grev, Roger S., Fitzgerald, George, Schaefer, Henry F., Knowles, Peter J.

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 859 KB

english, 1984

14

Classical generalized transition-state theory. Application to a collinear reaction with two saddle points

Garrett, Bruce C., Truhlar, Donald G., Grev, Roger S.

Journal:

Journal of Physical Chemistry

Year:

1981

Language:

english

File:

PDF, 512 KB

english, 1981

15

The ultraviolet spectrum of dimethylsilylene

Grev, Roger S., Schaefer, Henry F.

Journal:

Journal of the American Chemical Society

Year:

1986

Language:

english

File:

PDF, 651 KB

english, 1986

16

The electronic spectra of SNS. Low-lying doublet states

Yamaguchi, Yukio, Xie, Yaoming, Alberts, Ian L., Grev, Roger S., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 985 KB

english, 1990

17

Reassignment of the structure of silicon dicarbonyl based on theoretically predicted IR spectra

Grev, Roger S., Schaefer, Henry F.

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 671 KB

english, 1989

18

Transition state and barrier height for the silanediyl insertion reaction SiH2+ H2? SiH4

Grev, Roger S., Schaefer, Henry F.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1983

Language:

english

File:

PDF, 190 KB

english, 1983

19

What is the lowest energy structure of the NS2 molecule?

Yamaguchi, Yukio, Xie, Yaoming, Grev, Roger S., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 592 KB

english, 1990

20

Is a CC quadruple bond possible?

Paul von RaguéSchleyer, Przemyslaw Maslak, Jayaraman Chandrasekhar, Roger S. Grev

Journal:

Tetrahedron Letters

Year:

1993

Language:

english

File:

PDF, 292 KB

english, 1993

21

The syn rotational barrier in butane

Allinger, Norman L., Grev, Roger S., Yates, Brian F., Schaefer, Henry F.

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 765 KB

english, 1990

22

C3+ is bent

Grev, Roger S., Alberts, Ian L., Schaefer, Henry F.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 406 KB

english, 1990

23

Reaction probabilities, resonances, and thermal rate constants for the collinear reactions H + FH and D + FD on a low-barrier surface. Close-coupling and tunneling calculations, variational transition-state theory, and the unified statistical model

Garrett, Bruce C., Truhlar, Donald G., Grev, Roger S., Schatz, George C., Walker, Robert B.

Journal:

Journal of Physical Chemistry

Year:

1981

Language:

english

File:

PDF, 1.50 MB

english, 1981

24

Rearrangement barriers in doubly bonded germanium compounds

Grev, Roger S., Schaefer, Henry F.

Journal:

Organometallics

Year:

1992

Language:

english

File:

PDF, 485 KB

english, 1992

25

Variational transition state theory, vibrationally adiabatic transmission coefficients, and the unified statistical model tested against accurate quantal rate constants for collinear F+H2, H+F2, and isotopic analogs

Garrett, Bruce C., Truhlar, Donald G., Grev, Roger S., Magnuson, Alan W., Connor, J. N. L.

Journal:

The Journal of Chemical Physics

Year:

1980

Language:

english

File:

PDF, 906 KB

english, 1980

26

6-311G is not of valence triple-zeta quality

Grev, Roger S., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

1989

Language:

english

File:

PDF, 388 KB

english, 1989

27

Geometrical structure and vibrational frequencies of several electronic states of Si2C

Grev, Roger S., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

1985

Language:

english

File:

PDF, 659 KB

english, 1985

28

The structure, spectroscopy, and excited state predissociation dynamics of GeH2

Karolczak, J., Harper, Warren W., Grev, Roger S., Clouthier, Dennis J.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 505 KB

english, 1995

29

Improved treatment of threshold contributions in variational transition-state theory

Garrett, Bruce C., Truhlar, Donald G., Grev, Roger S., Magnuson, Alan W.

Journal:

Journal of Physical Chemistry

Year:

1980

Language:

english

File:

PDF, 2.52 MB

english, 1980

30

An energetically low-lying silacyclopropyne isomer of SiC2

Grev, Roger S., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 517 KB

english, 1984

31

X̃ 1A1, ã 3B1, and Ã 1B1 electronic state of silylenes. Structures and vibrational frequencies of SiH2, and SiHF, and SiF2

Michael E. Colvin, Roger S. Grev, Henry F. Schaefer III, Jozef Bicerano

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 629 KB

english, 1983

32

Molecular orbital study of the vinylphosphinidene to phosphapropyne rearrangement

Berger, Daniel J., Gaspar, Peter P., Grev, Roger S., Mathey, Francois

Journal:

Organometallics

Year:

1994

Language:

english

File:

PDF, 638 KB

english, 1994

33

Hetero-substituted cyclopolysilanes. Unusual structures and a new model of bonding in 1,3-disubstituted four-membered rings

Grev, Roger S., Schaefer, Henry F.

Journal:

Journal of the American Chemical Society

Year:

1987

Language:

english

File:

PDF, 1.12 MB

english, 1987

34

The silicon–carbon symmetric stretching fundamental ν1 of Si2C: Nonintuitive theoretical behavior

Bolton, Evan E., DeLeeuw, Bradley J., Fowler, Joseph E., Grev, Roger S., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 700 KB

english, 1992

35

Maternal probiotic supplementation for prevention of morbidity and mortality in preterm infants

Grev, Jacquelyn, Berg, Marie, Soll, Roger

Journal:

Cochrane database of systematic reviews

Year:

2018

Language:

english

File:

PDF, 930 KB

english, 2018

36

Concerning zero-point vibrational energy corrections to electronic energies

Grev, Roger S., Janssen, Curtis L., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 620 KB

english, 1991

37

Laser Spectroscopic Detection of the Simplest Unsaturated Silylene and Germylene

Harper, Warren W., Ferrall, Eric A., Hilliard, Randall K., Stogner, Steven M., Grev, Roger S., Clouthier, Dennis J.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 103 KB

english, 1997

38

The excited electronic states of H2CSi

Hilliard, Randall K., Grev, Roger S.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 328 KB

english, 1997

39

A comparison and contrast of selected saturated and unsaturated hydrides of group 14 elements: C2H6, Si2H6, Ge2H6, and C2H2, Si2H2, Ge2H2

DeLeeuw, Bradley J., Grev, Roger S., Schaefer, Henry F.

Journal:

Journal of Chemical Education

Year:

1992

Language:

english

File:

PDF, 5.56 MB

english, 1992

40

Germasilene, (H2Ge:SiH2) and its isomers silylgermylene and germylsilylene: bond dissociation energies, .pi.-bond energies, and predictions of isomeric stability

Grev, Roger S., Schaefer, Henry F., Baines, Kim M.

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 1.30 MB

english, 1990

41

The valence isoelectronic molecules CCO, CNN, SiCO, and SiNN in their triplet ground states: Theoretical predictions of structures and infrared spectra

DeKock, Roger L., Grev, Roger S., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 1.17 MB

english, 1988

42

Cyclopolysilanes: structure, strain, and the form of the singly occupied molecular orbital in their radical anions

Grev, Roger S., Schaefer, Henry F.

Journal:

Journal of the American Chemical Society

Year:

1987

Language:

english

File:

PDF, 1.15 MB

english, 1987

43

Relative energies of silaethylene and methylsilylene

Grev, Roger S., Scuseria, Gustavo E., Scheiner, Andrew C., Schaefer, Henry F., Gordon, Mark S.

Journal:

Journal of the American Chemical Society

Year:

1988

Language:

english

File:

PDF, 422 KB

english, 1988

44

Insertion reactions of monovalent silicon: a nonvanishing barrier for the silylidyne plus hydrogen reaction SiH + H2

Gordon, Mark S., Xie, Yaoming, Yamaguchi, Yukio, Grev, Roger S., Schaefer, Henry F.

Journal:

Journal of the American Chemical Society

Year:

1993

Language:

english

File:

PDF, 634 KB

english, 1993

45

[Advances in Organometallic Chemistry] Volume 33 || Structure and Bonding in the Parent Hydrides and Multiply Bonded Silicon and Germanium Compounds: From Mhn to R2M = M′R2 and RM ≡ M′R

Year:

1991

Language:

english

File:

PDF, 2.27 MB

english, 1991

46

The ground state of Si3, two near degenerate isomers

Roger S. Grev, H.F. Schaefer

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 967 KB

english, 1985

47

The remarkable monobridged structure of Si2H2

Grev, Roger S., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 963 KB

english, 1992

48

Thermochemistry of CHn, SiHn (n=0–4), and the cations SiH+, SiH2+, and SiH3+: A converged quantum mechanical approach

Grev, Roger S., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 1.85 MB

english, 1992

49

C3+ is bent [Erratum to document cited in CA112(21):197251t]

Grev, Roger S., Alberts, Ian L., Schaefer, Henry F.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 76 KB

english, 1990

50

A Predicted Spectrum of HCS, an Intermediate in the Production of the Sulfur Compounds Observed in the Collision of Comet Shoemaker-Levy 9 with Jupiter

Clouthier, Dennis J., Grev, Roger S.

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 39 KB

english, 1998

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