Anmelden/Registrieren
Erscheinungsjahr:
 
Zurück zur geteilten Ansicht
Henry F. Schaefer

Veröffentlichungen von Henry F. Schaefer zu Schaefer, Henry F.. ->
weitere Veröffentlichungen von Henry F. Schaefer:
The 1,2 hydrogen shift: a common vehicle for the disappearance of evanescent molecular species (1979)
The fuzzy interface between surface chemistry, heterogeneous catalysis, and organometallic chemistry (1977)
The atomic fluorine + molecular hydrogen potential energy surface: the ecstasy and the agony (1985)
The silicon-carbon double bond: a healthy rivalry between theory and experiment (1982)
New theoretical evidence for the nonlinearity of the triplet ground state of methylene (1970)
Infrared spectrum of F.hivin..cntdot.H2O (1988)
Vibrational frequency shifts in hydrogen-bonded systems: the hydrogen fluoride dimer and trimer (1984)
Singlet-triplet energy separation, Walsh-Mulliken diagrams, and singlet d-polarization effects in methylene (1972)
Observed and calculated Raman spectra of the Ga2H6 and Ga2D6 molecules (1994)
Detailed Study of the Water Trimer Potential Energy Surface (1995)
The tetramethyl chalcogens (Me4S, Me4Se, Me4Te): bonding and structure (1994)
Singlet Methylcarbene: Equilibrium Geometry or Transition State? (1994)
SN2 reaction at neutral nitrogen: transition state geometries and intrinsic barriers. (1993)
Nitromethylene (H-C-NO2): a comparison of the lowest lying triplet and singlet states of a highly unconventional carbene (1993)
Theoretical characterization of the transition structure for an SN2 reaction at neutral nitrogen (1993)
Veröffentlichungen zu Schaefer, Henry F..
Zurück zur geteilten Ansicht
Verfasser Titel Jahr absteigend sortierenaufsteigend sortieren
zeige Details
221
Conrad, Morgan P.. Geometrical structure and energetics of Closs's diradical: 1,3-cyclopentadiyl
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 101, No. 8 (1979), p. 2245-2246
Zugang: zum Volltext
ähnliche Vorschläge
1979
zeige Details
222
Zandler, Melvin E.. Effects of electron correlation on the geometrical structure of cyanomethylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 101, No. 5 (1979), p. 1072-1076
Zugang: zum Volltext
ähnliche Vorschläge
1979
zeige Details
223
Hood, Diane M.. Planar 3A2' - orthogonal 1B1 energy separation for trimethylenemethane
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 100, No. 25 (1978), p. 8009-8010
Zugang: zum Volltext
ähnliche Vorschläge
1978
zeige Details
224
Hood, Diane M.. Equilibrium geometry of trimethylenemethane and the absence of an adjacent secondary minimum on the triplet potential energy surface
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 100, No. 7 (1978), p. 2227-2228
Zugang: zum Volltext
ähnliche Vorschläge
1978
zeige Details
225
Bauschlicher, Charles W.. Structure and energetics of simple carbenes methylene, fluoromethylene, chloromethylene, bromomethylene, difluoromethylene, and dichloromethylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 99, No. 22 (1977), p. 7106-7110
Zugang: zum Volltext
ähnliche Vorschläge
1977
zeige Details
226
Dykstra, Clifford E.. Electronic structure of nitrenes. Lithium nitride, the simplest ionic species
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 97, No. 9 (1975), p. 2321-2325
Zugang: zum Volltext
ähnliche Vorschläge
1975
zeige Details
227
Mastryukov, Vladimir S.. Self-Consistent Changes of Geometrical Parameters: Experiment and Theory
In: Accounts of chemical research. - Columbus, Ohio : American Chemical Soc., ISSN 1520-4898, Vol. 27, No. 8 (1994), p. 242-249
Zugang: zum Volltext
ähnliche Vorschläge
1994
zeige Details
228
Hand, Robert W.. Electronic structure of iron trifluoride
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 95, No. 14 (1973), p. 4517-4522
Zugang: zum Volltext
ähnliche Vorschläge
1973
zeige Details
229
Rothenberg, Stephen. Ground state self-consistent-field wave functions and molecular properties for the isoelectronic series SiH4, PH3, H2S, and HCl
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 92, No. 11 (1970), p. 3243-3250
Zugang: zum Volltext
ähnliche Vorschläge
1970
zeige Details
230
Ponder, Morgan. Proposed Intermediates in the Tautomerization of Benzofurazan 1-Oxide
In: The journal of organic chemistry. - [S.l.] : American Chemical Society, ISSN 1520-6904, Vol. 59, No. 21 (1994), p. 6431-6436
Zugang: zum Volltext
ähnliche Vorschläge
1994
zeige Details
231
Thomas, J. Russell. The unknown unsubstituted tetrazines: 1,2,3,4-tetrazine and 1,2,3,5-tetrazine
In: The journal of organic chemistry. - [S.l.] : American Chemical Society, ISSN 1520-6904, Vol. 56, No. 2 (1991), p. 539-543
Zugang: zum Volltext
ähnliche Vorschläge
1991
zeige Details
232
Vacek, George. Deviations from Idealized Geometry: An ab Initio Investigation of (CH3)2AX2 Molecules [A = Si, Ge; X = F, Cl]
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 44 (1994), p. 11337-11341
Zugang: zum Volltext
ähnliche Vorschläge
1994
zeige Details
233
Kim, Seung Joon. Methylphosphinidene (CH3P) and its rearrangement to phosphaethylene (CH2PH): toward the observation of ground-state triplet CH3P
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 9 (1993), p. 1872-1877
Zugang: zum Volltext
ähnliche Vorschläge
1993
zeige Details
234
Meredith, Cynthia. Oxywater (water oxide): new evidence for the existence of a structural isomer of hydrogen peroxide
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 23 (1992), p. 9250-9254
Zugang: zum Volltext
ähnliche Vorschläge
1992
zeige Details
235
Sherrill, C. David. Closs's diradical: some surprises on the potential energy hypersurface
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 9 (1992), p. 3712-3716
Zugang: zum Volltext
ähnliche Vorschläge
1992
zeige Details
236
Grev, Roger S.. C3+ is bent [Erratum to document cited in CA112(21):197251t]
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 24 (1990), p. 8744-8744
Zugang: zum Volltext
ähnliche Vorschläge
1990
zeige Details
237
Allen, Thomas L.. Theoretical studies of diphosphene and diphosphinylidene. 2. Some unusual features of the radical cations and anions
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 20 (1990), p. 7780-7784
Zugang: zum Volltext
ähnliche Vorschläge
1990
zeige Details
238
Grev, Roger S.. C3+ is bent
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 9 (1990), p. 3379-3381
Zugang: zum Volltext
ähnliche Vorschläge
1990
zeige Details
239
Frisch, Michael J.. Theoretical study of the structure and spectroscopic characteristics of protonated carbon dioxide
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 89, No. 11 (1985), p. 2192-2194
Zugang: zum Volltext
ähnliche Vorschläge
1985
zeige Details
240
Saxe, Paul. Methylene singlet-triplet separation. An explicit variational treatment of many-body correlation effects
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 85, No. 7 (1981), p. 745-747
Zugang: zum Volltext
ähnliche Vorschläge
1981