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Results: 1-12 |
Results: 12
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 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
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
ELECTRON-AFFINITIES OF THE BROMINE FLUORIDES, BRFN (N = 1-7)
Authors: PAK C XIE Y VANHUIS TJ SCHAEFER HF
Citation: C. Pak et al., ELECTRON-AFFINITIES OF THE BROMINE FLUORIDES, BRFN (N = 1-7), Journal of the American Chemical Society, 120(43), 1998, pp. 11115-11121
THE (X)OVER-TILDE(1)A(1), (A)OVER-TILDE(3)B(1), (A)OVER-TILDE(1)B(1),AND (B)OVER-TILDE(1)A(1) ELECTRONIC STATES OF SIH2
Authors: YAMAGUCHI Y VANHUIS TJ SHERRILL CD SCHAEFER HF
Citation: Y. Yamaguchi et al., THE (X)OVER-TILDE(1)A(1), (A)OVER-TILDE(3)B(1), (A)OVER-TILDE(1)B(1),AND (B)OVER-TILDE(1)A(1) ELECTRONIC STATES OF SIH2, Theoretical chemistry accounts, 97(1-4), 1997, pp. 341-349
(X)OVER-TILDE(1)A(1), (A)OVER-TILDE(3)B(1), (A)OVER-TILDE(1)B(1), AND(B)OVER-TILDE(1)A(1) ELECTRONIC STATES OF PH2+
Authors: VANHUIS TJ YAMAGUCHI Y SHERRILL CD SCHAEFER HF
Citation: Tj. Vanhuis et al., (X)OVER-TILDE(1)A(1), (A)OVER-TILDE(3)B(1), (A)OVER-TILDE(1)B(1), AND(B)OVER-TILDE(1)A(1) ELECTRONIC STATES OF PH2+, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(37), 1997, pp. 6955-6963
PROTONATED HIGH-ENERGY DENSITY MATERIALS - N-4 TETRAHEDRON AND N-8 OCTAHEDRON
Authors: LEININGER ML VANHUIS TJ SCHAEFER HF
Citation: Ml. Leininger et al., PROTONATED HIGH-ENERGY DENSITY MATERIALS - N-4 TETRAHEDRON AND N-8 OCTAHEDRON, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(24), 1997, pp. 4460-4464
FULL CONFIGURATION-INTERACTION BENCHMARKS FOR THE (X)OVER-TILDE(3)B(1), (A)OVER-TILDE(1)A(1), (B)OVER-TILDE(1)B(1) AND (C)OVER-TILDE(1)A(1)STATES OF METHYLENE
Authors: SHERRILL CD VANHUIS TJ YAMAGUCHI Y SCHAEFER HF
Citation: Cd. Sherrill et al., FULL CONFIGURATION-INTERACTION BENCHMARKS FOR THE (X)OVER-TILDE(3)B(1), (A)OVER-TILDE(1)A(1), (B)OVER-TILDE(1)B(1) AND (C)OVER-TILDE(1)A(1)STATES OF METHYLENE, Journal of molecular structure. Theochem, 400, 1997, pp. 139-156
THE CLO4 RADICAL - EXPERIMENT VERSUS THEORY
Authors: VANHUIS TJ SCHAEFER HF
Citation: Tj. Vanhuis et Hf. Schaefer, THE CLO4 RADICAL - EXPERIMENT VERSUS THEORY, The Journal of chemical physics, 106(10), 1997, pp. 4028-4037
THE MONOCHLORINE FLUORIDES (CLFN) AND THEIR ANIONS (CLFN-) N=1-7 - STRUCTURES AND ENERGETICS
Authors: VANHUIS TJ GALBRAITH JM SCHAEFER HF
Citation: Tj. Vanhuis et al., THE MONOCHLORINE FLUORIDES (CLFN) AND THEIR ANIONS (CLFN-) N=1-7 - STRUCTURES AND ENERGETICS, Molecular physics, 89(2), 1996, pp. 607-631
THE SYNTHESIS OF 3 IMPORTANT LACTONES VIA AN ENZYMATIC RESOLUTION STRATEGY THAT IMPROVES EES AND YIELDS (VOL 6, PG 157, 1995)
Authors: TAYLOR SK ATKINSON RF ALMLI EP CARR MD VANHUIS TJ WHITTAKER MR
Citation: Sk. Taylor et al., THE SYNTHESIS OF 3 IMPORTANT LACTONES VIA AN ENZYMATIC RESOLUTION STRATEGY THAT IMPROVES EES AND YIELDS (VOL 6, PG 157, 1995), Tetrahedron : asymmetry, 6(7), 1995, pp. 1451-1451
THE SYNTHESIS OF 3 IMPORTANT LACTONES VIA AN ENZYMATIC RESOLUTION STRATEGY THAT IMPROVES EES AND YIELDS
Authors: TAYLOR SK ATKINSON RF ALMLI EP CARR MD VANHUIS TJ WHITTAKER MR
Citation: Sk. Taylor et al., THE SYNTHESIS OF 3 IMPORTANT LACTONES VIA AN ENZYMATIC RESOLUTION STRATEGY THAT IMPROVES EES AND YIELDS, Tetrahedron : asymmetry, 6(1), 1995, pp. 157-164
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