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Results: 1-14 |
Results: 14
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
INVESTIGATION OF AN ASYMMETRIC TRIPLE-EXCITATION CORRECTION FOR COUPLED-CLUSTER ENERGIES
Authors: CRAWFORD TD STANTON JF
Citation: Td. Crawford et Jf. Stanton, INVESTIGATION OF AN ASYMMETRIC TRIPLE-EXCITATION CORRECTION FOR COUPLED-CLUSTER ENERGIES, International journal of quantum chemistry, 70(4-5), 1998, pp. 601-611
THE (C)OVER-TILDE(2)A(2) EXCITED-STATE OF NO2 - EVIDENCE FOR A C-S EQUILIBRIUM STRUCTURE AND A FAILURE OF SOME SPIN-RESTRICTED REFERENCE WAVE-FUNCTIONS
Authors: CRAWFORD TD STANTON JF SZALAY PG SCHAEFER HF
Citation: Td. Crawford et al., THE (C)OVER-TILDE(2)A(2) EXCITED-STATE OF NO2 - EVIDENCE FOR A C-S EQUILIBRIUM STRUCTURE AND A FAILURE OF SOME SPIN-RESTRICTED REFERENCE WAVE-FUNCTIONS, The Journal of chemical physics, 107(7), 1997, pp. 2525-2528
HARTREE-FOCK ORBITAL INSTABILITY ENVELOPES IN HIGHLY CORRELATED SINGLE-REFERENCE WAVE-FUNCTIONS
Authors: CRAWFORD TD STANTON JF ALLEN WD SCHAEFER HF
Citation: Td. Crawford et al., HARTREE-FOCK ORBITAL INSTABILITY ENVELOPES IN HIGHLY CORRELATED SINGLE-REFERENCE WAVE-FUNCTIONS, The Journal of chemical physics, 107(24), 1997, pp. 10626-10632
SPIN-RESTRICTED BRUECKNER ORBITALS FOR COUPLED-CLUSTER WAVE-FUNCTIONS
Authors: CRAWFORD TD LEE TJ HANDY NC SCHAEFER HF
Citation: Td. Crawford et al., SPIN-RESTRICTED BRUECKNER ORBITALS FOR COUPLED-CLUSTER WAVE-FUNCTIONS, The Journal of chemical physics, 107(23), 1997, pp. 9980-9984
A NEW SPIN-RESTRICTED TRIPLE EXCITATION CORRECTION FOR COUPLED-CLUSTER THEORY
Authors: CRAWFORD TD LEE TJ SCHAEFER HF
Citation: Td. Crawford et al., A NEW SPIN-RESTRICTED TRIPLE EXCITATION CORRECTION FOR COUPLED-CLUSTER THEORY, The Journal of chemical physics, 107(19), 1997, pp. 7943-7950
THE WEAKLY-BOUND DINITROGEN TETROXIDE MOLECULE - HIGH-LEVEL SINGLE REFERENCE WAVE-FUNCTIONS ARE GOOD ENOUGH
Authors: WESOLOWSKI SS FERMANN JT CRAWFORD TD SCHAEFER HF
Citation: Ss. Wesolowski et al., THE WEAKLY-BOUND DINITROGEN TETROXIDE MOLECULE - HIGH-LEVEL SINGLE REFERENCE WAVE-FUNCTIONS ARE GOOD ENOUGH, The Journal of chemical physics, 106(17), 1997, pp. 7178-7184
ON THE ENERGY INVARIANCE OF OPEN-SHELL PERTURBATION-THEORY WITH RESPECT TO UNITARY TRANSFORMATIONS OF MOLECULAR-ORBITALS
Authors: CRAWFORD TD SCHAEFER HF LEE TJ
Citation: Td. Crawford et al., ON THE ENERGY INVARIANCE OF OPEN-SHELL PERTURBATION-THEORY WITH RESPECT TO UNITARY TRANSFORMATIONS OF MOLECULAR-ORBITALS, The Journal of chemical physics, 105(3), 1996, pp. 1060-1069
A COMPARISON OF 2 APPROACHES TO PERTURBATION TRIPLE EXCITATION CORRECTIONS TO THE COUPLED-CLUSTER SINGLES AND DOUBLES METHOD FOR HIGH-SPIN OPEN-SHELL SYSTEMS
Authors: CRAWFORD TD SCHAEFER HF
Citation: Td. Crawford et Hf. Schaefer, A COMPARISON OF 2 APPROACHES TO PERTURBATION TRIPLE EXCITATION CORRECTIONS TO THE COUPLED-CLUSTER SINGLES AND DOUBLES METHOD FOR HIGH-SPIN OPEN-SHELL SYSTEMS, The Journal of chemical physics, 104(16), 1996, pp. 6259-6264
ALUMINUM MONOCARBONYL AND ALUMINUM ISOCARBONYL
Authors: WESOLOWSKI SS CRAWFORD TD FERMANN JT SCHAEFER HF
Citation: Ss. Wesolowski et al., ALUMINUM MONOCARBONYL AND ALUMINUM ISOCARBONYL, The Journal of chemical physics, 104(10), 1996, pp. 3672-3675
A CONTRIBUTION TO THE UNDERSTANDING OF THE STRUCTURE OF XENON HEXAFLUORIDE
Authors: CRAWFORD TD SPRINGER KW SCHAEFER HF
Citation: Td. Crawford et al., A CONTRIBUTION TO THE UNDERSTANDING OF THE STRUCTURE OF XENON HEXAFLUORIDE, The Journal of chemical physics, 102(8), 1995, pp. 3307-3311
BENCHMARK STUDIES ELECTRON CORRELATION IN 6-ELECTRON SYSTEMS
Authors: FERMANN JT SHERRILL CD CRAWFORD TD SCHAEFER HF
Citation: Jt. Fermann et al., BENCHMARK STUDIES ELECTRON CORRELATION IN 6-ELECTRON SYSTEMS, The Journal of chemical physics, 100(11), 1994, pp. 8132-8139
ROTATIONAL-CONSTANTS FOR THE (C)OVER-TILDE(2)A(2) STATE OF NO2
Authors: CRAWFORD TD SCHAEFER HF
Citation: Td. Crawford et Hf. Schaefer, ROTATIONAL-CONSTANTS FOR THE (C)OVER-TILDE(2)A(2) STATE OF NO2, The Journal of chemical physics, 99(10), 1993, pp. 7926-7928
THE BALANCE BETWEEN THEORETICAL METHOD AND BASIS SET QUALITY - A SYSTEMATIC STUDY OF EQUILIBRIUM GEOMETRIES, DIPOLE-MOMENTS, HARMONIC VIBRATIONAL FREQUENCIES, AND INFRARED INTENSITIES
Authors: THOMAS JR DELEEUW BJ VACEK G CRAWFORD TD YAMAGUCHI Y SCHAEFER HF
Citation: Jr. Thomas et al., THE BALANCE BETWEEN THEORETICAL METHOD AND BASIS SET QUALITY - A SYSTEMATIC STUDY OF EQUILIBRIUM GEOMETRIES, DIPOLE-MOMENTS, HARMONIC VIBRATIONAL FREQUENCIES, AND INFRARED INTENSITIES, The Journal of chemical physics, 99(1), 1993, pp. 403-416
Risultati: 1-14 |