AAAAAA

   
Results: 1-25 | 26-50 | 51-75 | 76-100 | >>
Results: 1-25/219
TETRAPHENYLDIHYDROCYCLOBUTAARENES - WHAT CAUSES THE EXTREMELY LONG 1.72-ANGSTROM C-C SINGLE BOND
Authors: BETTINGER HF SCHLEYER PV SCHAEFER HF
Citation: Hf. Bettinger et al., TETRAPHENYLDIHYDROCYCLOBUTAARENES - WHAT CAUSES THE EXTREMELY LONG 1.72-ANGSTROM C-C SINGLE BOND, Chemical communications, (7), 1998, pp. 769-770
MOLECULAR-STRUCTURES AND VIBRATIONAL FREQUENCIES OF IRON CARBONYLS - FE(CO)(5), FE-2(CO)(9), AND FE-3(CO)(12)
Authors: JANG JH LEE JG LEE H XIE YM SCHAEFER HF
Citation: Jh. Jang et al., MOLECULAR-STRUCTURES AND VIBRATIONAL FREQUENCIES OF IRON CARBONYLS - FE(CO)(5), FE-2(CO)(9), AND FE-3(CO)(12), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(27), 1998, pp. 5298-5304
(X)OVER-TILDE(3)B(1), (A)OVER-TILDE(1)A(1), (B)OVER-TILDE(1)B(1), AND(C)OVER-TILDE(1)SIGMA(+)(G) ELECTRONIC STATES OF NH2+
Authors: STEPHENS JC YAMAGUCHI Y SHERRILL CD SCHAEFER HF
Citation: Jc. Stephens et al., (X)OVER-TILDE(3)B(1), (A)OVER-TILDE(1)A(1), (B)OVER-TILDE(1)B(1), AND(C)OVER-TILDE(1)SIGMA(+)(G) ELECTRONIC STATES OF NH2+, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(22), 1998, pp. 3999-4006
ARE HETEROCYCLIC 2-PI-ELECTRON AROMATIC SYSTEMS HC-GA(H)-CH, M[HGA-C(H)-GAH], [HGA-C(H)-GAH](-), HSI-GA(H)-SIH, M[HGA-SI(H)-GAH] (M = LI, NA, AND K), AND [HGA-SI(H)-GAH](-) STABLE
Authors: XIE YM SCHREINER PR SCHAEFER HF LI XW ROBINSON GH
Citation: Ym. Xie et al., ARE HETEROCYCLIC 2-PI-ELECTRON AROMATIC SYSTEMS HC-GA(H)-CH, M[HGA-C(H)-GAH], [HGA-C(H)-GAH](-), HSI-GA(H)-SIH, M[HGA-SI(H)-GAH] (M = LI, NA, AND K), AND [HGA-SI(H)-GAH](-) STABLE, Organometallics, 17(1), 1998, pp. 114-122
HYDROGEN BRIDGING IN MOLECULES CONTAINING ATOMS BEYOND THE FIRST ROW
Authors: GALBRAITH JM SCHAEFER HF
Citation: Jm. Galbraith et Hf. Schaefer, HYDROGEN BRIDGING IN MOLECULES CONTAINING ATOMS BEYOND THE FIRST ROW, Journal of molecular structure. Theochem, 424(1-2), 1998, pp. 7-20
MEDIUM RING COMPOUNDS AND THEIR ANIONS - A SYSTEMATIC DENSITY-FUNCTIONAL THEORY STUDY
Authors: RIENSTRAKIRACOFE JC GRAHAM DE SCHAEFER HF
Citation: Jc. Rienstrakiracofe et al., MEDIUM RING COMPOUNDS AND THEIR ANIONS - A SYSTEMATIC DENSITY-FUNCTIONAL THEORY STUDY, Molecular physics, 94(5), 1998, pp. 767-787
DEFINITIVE AB-INITIO STRUCTURE FOR THE (X)OVER-TILDE (2)A'H2PO RADICAL AND RESOLUTION OF THE P-O STRETCHING MODE ASSIGNMENT
Authors: WESOLOWSKI SS JOHNSON EM LEININGER ML CRAWFORD TD SCHAEFER HF
Citation: Ss. Wesolowski et al., DEFINITIVE AB-INITIO STRUCTURE FOR THE (X)OVER-TILDE (2)A'H2PO RADICAL AND RESOLUTION OF THE P-O STRETCHING MODE ASSIGNMENT, The Journal of chemical physics, 109(7), 1998, pp. 2694-2699
IS F-3(- A HIGH-LEVEL AB-INITIO COMPARISON OF F-3(+) AND CL-3(+)() VIABLE )
Authors: VALEEV EF BOTEE HM SCHAEFER HF
Citation: Ef. Valeev et al., IS F-3(- A HIGH-LEVEL AB-INITIO COMPARISON OF F-3(+) AND CL-3(+)() VIABLE ), The Journal of chemical physics, 109(5), 1998, pp. 1772-1780
STRUCTURES AND STABILITY OF HYDRATED CLUSTERS OF HYDROGEN-CHLORIDE, HCL(H2O)(N), N=1-5
Authors: RE S OSAMURA Y SUZUKI Y SCHAEFER HF
Citation: S. Re et al., STRUCTURES AND STABILITY OF HYDRATED CLUSTERS OF HYDROGEN-CHLORIDE, HCL(H2O)(N), N=1-5, The Journal of chemical physics, 109(3), 1998, pp. 973-977
ELECTRON-ATTACHMENT TO PCL3 AND POCL3, 296-552 K
Authors: MILLER TM SEELEY JV KNIGHTON WB MEADS RF VIGGIANO AA MORRIS RA VANDOREN JM GU JD SCHAEFER HF
Citation: Tm. Miller et al., ELECTRON-ATTACHMENT TO PCL3 AND POCL3, 296-552 K, The Journal of chemical physics, 109(2), 1998, pp. 578-584
STRUCTURES AND VIBRATIONAL FREQUENCIES IN THE FULL CONFIGURATION-INTERACTION LIMIT - PREDICTIONS FOR 4 ELECTRONIC STATES OF METHYLENE USINGA TRIPLE-ZETA PLUS DOUBLE POLARIZATION (TZ2P) BASIS
Authors: SHERRILL CD LEININGER ML VANHUIS TJ SCHAEFER HF
Citation: Cd. Sherrill et al., STRUCTURES AND VIBRATIONAL FREQUENCIES IN THE FULL CONFIGURATION-INTERACTION LIMIT - PREDICTIONS FOR 4 ELECTRONIC STATES OF METHYLENE USINGA TRIPLE-ZETA PLUS DOUBLE POLARIZATION (TZ2P) BASIS, The Journal of chemical physics, 108(3), 1998, pp. 1040-1049
THE ELECTRON-AFFINITIES OF PF AND PF2
Authors: GU JD CHEN KX XIE YM SCHAEFER HF MORRIS RA VIGGIANO AA
Citation: Jd. Gu et al., THE ELECTRON-AFFINITIES OF PF AND PF2, The Journal of chemical physics, 108(3), 1998, pp. 1050-1054
EXPERIMENTAL AND AB-INITIO STUDY OF THE INFRARED-SPECTRA OF IONIC SPECIES DERIVED FROM SF6 AND SF4 AND TRAPPED IN SOLID NEON
Authors: LUGEZ CL JACOX ME KING RA SCHAEFER HF
Citation: Cl. Lugez et al., EXPERIMENTAL AND AB-INITIO STUDY OF THE INFRARED-SPECTRA OF IONIC SPECIES DERIVED FROM SF6 AND SF4 AND TRAPPED IN SOLID NEON, The Journal of chemical physics, 108(23), 1998, pp. 9639-9650
IN PURSUIT OF THE AB-INITIO LIMIT FOR CONFORMATIONAL ENERGY PROTOTYPES
Authors: CSASZAR AG ALLEN WD SCHAEFER HF
Citation: Ag. Csaszar et al., IN PURSUIT OF THE AB-INITIO LIMIT FOR CONFORMATIONAL ENERGY PROTOTYPES, The Journal of chemical physics, 108(23), 1998, pp. 9751-9764
ISOMERIZATION PATHWAY OF THE ALUMINUM MONOCARBONYL ISOCARBONYL PAIR, ALCO/ALOC - EVIDENCE OF A CYCLIC MINIMUM/
Authors: WESOLOWSKI SS GALBRAITH JM SCHAEFER HF
Citation: Ss. Wesolowski et al., ISOMERIZATION PATHWAY OF THE ALUMINUM MONOCARBONYL ISOCARBONYL PAIR, ALCO/ALOC - EVIDENCE OF A CYCLIC MINIMUM/, The Journal of chemical physics, 108(22), 1998, pp. 9398-9403
THE BARRIER HEIGHT FOR DECOMPOSITION OF HN2
Authors: GU JD XIE YM SCHAEFER HF
Citation: Jd. Gu et al., THE BARRIER HEIGHT FOR DECOMPOSITION OF HN2, The Journal of chemical physics, 108(19), 1998, pp. 8029-8030
A COMPARISON BETWEEN THE CISD[TQ] WAVE-FUNCTION AND OTHER HIGHLY CORRELATED METHODS - MOLECULAR-GEOMETRY AND HARMONIC VIBRATIONAL FREQUENCIES OF MGH2
Authors: TSCHUMPER GS SCHAEFER HF
Citation: Gs. Tschumper et Hf. Schaefer, A COMPARISON BETWEEN THE CISD[TQ] WAVE-FUNCTION AND OTHER HIGHLY CORRELATED METHODS - MOLECULAR-GEOMETRY AND HARMONIC VIBRATIONAL FREQUENCIES OF MGH2, The Journal of chemical physics, 108(18), 1998, pp. 7511-7515
THE PROTONATED WATER DIMER - BRUECKNER METHODS REMOVE THE SPURIOUS C-1 SYMMETRY MINIMUM
Authors: VALEEV EF SCHAEFER HF
Citation: Ef. Valeev et Hf. Schaefer, THE PROTONATED WATER DIMER - BRUECKNER METHODS REMOVE THE SPURIOUS C-1 SYMMETRY MINIMUM, The Journal of chemical physics, 108(17), 1998, pp. 7197-7201
BENCHMARK CONFIGURATION-INTERACTION SPECTROSCOPIC CONSTANTS FOR X(1)SIGMA(-2 AND X(1)SIGMA(+) CN+()(G) C)
Authors: LEININGER ML SHERRILL CD ALLEN WD SCHAEFER HF
Citation: Ml. Leininger et al., BENCHMARK CONFIGURATION-INTERACTION SPECTROSCOPIC CONSTANTS FOR X(1)SIGMA(-2 AND X(1)SIGMA(+) CN+()(G) C), The Journal of chemical physics, 108(16), 1998, pp. 6717-6721
THE UNIMOLECULAR DISSOCIATION OF H2CO ON THE LOWEST TRIPLET POTENTIAL-ENERGY SURFACE
Authors: YAMAGUCHI Y WESOLOWSKI SS VANHUIS TJ SCHAEFER HF
Citation: Y. Yamaguchi et al., THE UNIMOLECULAR DISSOCIATION OF H2CO ON THE LOWEST TRIPLET POTENTIAL-ENERGY SURFACE, The Journal of chemical physics, 108(13), 1998, pp. 5281-5288
STRUCTURE, SPECTRA, AND REACTION ENERGIES OF THE ALUMINUM-NITROGEN (HAL-NH)(2) AND (H2AL-NH2)(2) RINGS AND THE (HAL-NH)(4) CLUSTER
Authors: DAVY RD SCHAEFER HF
Citation: Rd. Davy et Hf. Schaefer, STRUCTURE, SPECTRA, AND REACTION ENERGIES OF THE ALUMINUM-NITROGEN (HAL-NH)(2) AND (H2AL-NH2)(2) RINGS AND THE (HAL-NH)(4) CLUSTER, Inorganic chemistry, 37(9), 1998, pp. 2291-2295
FULL CONFIGURATION-INTERACTION ENERGIES, GEOMETRIES, AND QUARTIC FORCE-FIELDS OF THE NITRENIUM ION
Authors: VANHUIS TJ LEININGER ML SHERRILL CD SCHAEFER HF
Citation: Tj. Vanhuis et al., FULL CONFIGURATION-INTERACTION ENERGIES, GEOMETRIES, AND QUARTIC FORCE-FIELDS OF THE NITRENIUM ION, Collection of Czechoslovak Chemical Communications, 63(8), 1998, pp. 1107-1142
THE HYDROXYETHYNYL RADICAL (CCOH) - AN ACCESSIBLE ISOMER OF THE KETENYL RADICAL (HCCO)
Authors: YAMAGUCHI Y RIENSTRAKIRACOFE JC STEPHENS JC SCHAEFER HF
Citation: Y. Yamaguchi et al., THE HYDROXYETHYNYL RADICAL (CCOH) - AN ACCESSIBLE ISOMER OF THE KETENYL RADICAL (HCCO), Chemical physics letters, 291(5-6), 1998, pp. 509-516
[3(6)](1,2,3,4,5,6)CYCLOPHANE - A MOLECULAR PINWHEEL AND ITS CORRELATED INVERSION - NMR AND ENERGETIC CONSIDERATIONS
Authors: BETTINGER HF SCHLEYER PVR SCHAEFER HF
Citation: Hf. Bettinger et al., [3(6)](1,2,3,4,5,6)CYCLOPHANE - A MOLECULAR PINWHEEL AND ITS CORRELATED INVERSION - NMR AND ENERGETIC CONSIDERATIONS, Journal of the American Chemical Society, 120(5), 1998, pp. 1074-1075
NF5 - VIABLE OR NOT
Authors: BETTINGER HF SCHLEYER PV SCHAEFER HF
Citation: Hf. Bettinger et al., NF5 - VIABLE OR NOT, Journal of the American Chemical Society, 120(44), 1998, pp. 11439-11448
Risultati: 1-25 | 26-50 | 51-75 | 76-100 | >>