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AZABORININES - STRUCTURES, VIBRATIONAL FREQUENCIES, AND POLARIZABILITIES
Authors: DOERKSEN RJ THAKKAR AJ
Citation: Rj. Doerksen et Aj. Thakkar, AZABORININES - STRUCTURES, VIBRATIONAL FREQUENCIES, AND POLARIZABILITIES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(24), 1998, pp. 4679-4686
CROSS-SECTIONS FOR X-RAY AND HIGH-ENERGY ELECTRON-SCATTERING BY SMALLMOLECULES
Authors: HOFFMEYER RE BUNDGEN P THAKKAR AJ
Citation: Re. Hoffmeyer et al., CROSS-SECTIONS FOR X-RAY AND HIGH-ENERGY ELECTRON-SCATTERING BY SMALLMOLECULES, Journal of physics. B, Atomic molecular and optical physics, 31(16), 1998, pp. 3675-3692
STATIC RESPONSE PROPERTIES OF 2ND-PERIOD ATOMS - COUPLED-CLUSTER CALCULATIONS
Authors: DAS AK THAKKAR AJ
Citation: Ak. Das et Aj. Thakkar, STATIC RESPONSE PROPERTIES OF 2ND-PERIOD ATOMS - COUPLED-CLUSTER CALCULATIONS, Journal of physics. B, Atomic molecular and optical physics, 31(10), 1998, pp. 2215-2223
INTERACTION POTENTIALS FOR HE-F- AND NE-F-
Authors: ARCHIBONG EF HU CH THAKKAR AJ
Citation: Ef. Archibong et al., INTERACTION POTENTIALS FOR HE-F- AND NE-F-, The Journal of chemical physics, 109(8), 1998, pp. 3072-3076
ELECTRON MOMENTUM DENSITIES OF ATOMS
Authors: KOGA T MATSUYAMA H INOMATA H ROMERA E DEHESA JS THAKKAR AJ
Citation: T. Koga et al., ELECTRON MOMENTUM DENSITIES OF ATOMS, The Journal of chemical physics, 109(5), 1998, pp. 1601-1606
BENCHMARK AB-INITIO CALCULATIONS OF SMALL MOLECULES
Authors: THAKKAR AJ DYKSTRA CE
Citation: Aj. Thakkar et Ce. Dykstra, BENCHMARK AB-INITIO CALCULATIONS OF SMALL MOLECULES, Journal of molecular structure. Theochem, 400, 1997, pp. 1-5
RELIABLE ANISOTROPIC DIPOLE PROPERTIES AND DISPERSION ENERGY COEFFICIENTS FOR NO, EVALUATED USING CONSTRAINED DIPOLE OSCILLATOR STRENGTH TECHNIQUES
Authors: BUNDGEN P THAKKAR AJ KUMAR A MEATH WJ
Citation: P. Bundgen et al., RELIABLE ANISOTROPIC DIPOLE PROPERTIES AND DISPERSION ENERGY COEFFICIENTS FOR NO, EVALUATED USING CONSTRAINED DIPOLE OSCILLATOR STRENGTH TECHNIQUES, Molecular physics, 90(5), 1997, pp. 721-728
VIBRATIONAL DEACTIVATION OF N-2(V=1) BY INELASTIC-COLLISIONS WITH HE-3 AND HE-4 - AN EXPERIMENTAL AND A THEORETICAL-STUDY
Authors: REID JP THAKKAR AJ BARNES PW ARCHIBONG EF QUINEY HM SIMPSON CJSM
Citation: Jp. Reid et al., VIBRATIONAL DEACTIVATION OF N-2(V=1) BY INELASTIC-COLLISIONS WITH HE-3 AND HE-4 - AN EXPERIMENTAL AND A THEORETICAL-STUDY, The Journal of chemical physics, 107(7), 1997, pp. 2329-2339
RADIAL LIMIT OF LITHIUM REVISITED
Authors: KOGA T TANABE T THAKKAR AJ
Citation: T. Koga et al., RADIAL LIMIT OF LITHIUM REVISITED, International journal of quantum chemistry, 63(2), 1997, pp. 287-290
NONINTEGER PRINCIPAL QUANTUM NUMBERS INCREASE THE EFFICIENCY OF SLATER-TYPE BASIS-SETS
Authors: KOGA T KANAYAMA K THAKKAR AJ
Citation: T. Koga et al., NONINTEGER PRINCIPAL QUANTUM NUMBERS INCREASE THE EFFICIENCY OF SLATER-TYPE BASIS-SETS, International journal of quantum chemistry, 62(1), 1997, pp. 1-11
MOMENTS AND EXPANSION COEFFICIENTS OF ATOMIC ELECTRON MOMENTUM DENSITIES - NUMERICAL HARTREE-FOCK CALCULATIONS FOR HYDROGEN TO LAWRENCIUM
Authors: KOGA T THAKKAR AJ
Citation: T. Koga et Aj. Thakkar, MOMENTS AND EXPANSION COEFFICIENTS OF ATOMIC ELECTRON MOMENTUM DENSITIES - NUMERICAL HARTREE-FOCK CALCULATIONS FOR HYDROGEN TO LAWRENCIUM, Journal of physics. B, Atomic molecular and optical physics, 29(14), 1996, pp. 2973-2983
HIGH-ENERGY ELECTRON AND X-RAY-SCATTERING FROM ATOMS USING MONTE-CARLO METHODS
Authors: ALEXANDER SA COLDWELL RL HOFFMEYER RE THAKKAR AJ
Citation: Sa. Alexander et al., HIGH-ENERGY ELECTRON AND X-RAY-SCATTERING FROM ATOMS USING MONTE-CARLO METHODS, Journal of molecular structure. Theochem, 388, 1996, pp. 7-17
POLARIZABILITIES OF PURINE, ALLOPURINOL, HYPOXANTHINE, XANTHINE AND ALLOXANTHINE
Authors: KASSIMI NE THAKKAR AJ
Citation: Ne. Kassimi et Aj. Thakkar, POLARIZABILITIES OF PURINE, ALLOPURINOL, HYPOXANTHINE, XANTHINE AND ALLOXANTHINE, Journal of molecular structure. Theochem, 366(3), 1996, pp. 185-193
KINETIC-ENERGY ANALYSIS OF ATOMIC MULTIPLETS .3. F(M) CONFIGURATIONS
Authors: KOGA T TAKAGI T THAKKAR AJ
Citation: T. Koga et al., KINETIC-ENERGY ANALYSIS OF ATOMIC MULTIPLETS .3. F(M) CONFIGURATIONS, Theoretica Chimica Acta, 93(3), 1996, pp. 157-163
POLARIZABILITIES OF OXAZOLES - AB-INITIO CALCULATIONS AND SIMPLE-MODELS
Authors: KASSIMI NE DOERKSEN RJ THAKKAR AJ
Citation: Ne. Kassimi et al., POLARIZABILITIES OF OXAZOLES - AB-INITIO CALCULATIONS AND SIMPLE-MODELS, Journal of physical chemistry, 100(21), 1996, pp. 8752-8757
RELIABLE ANISOTROPIC DIPOLE PROPERTIES, AND DISPERSION ENERGY COEFFICIENTS, FOR O-2 EVALUATED USING CONSTRAINED DIPOLE OSCILLATOR STRENGTH TECHNIQUES
Authors: KUMAR A MEATH WJ BUNDGEN P THAKKAR AJ
Citation: A. Kumar et al., RELIABLE ANISOTROPIC DIPOLE PROPERTIES, AND DISPERSION ENERGY COEFFICIENTS, FOR O-2 EVALUATED USING CONSTRAINED DIPOLE OSCILLATOR STRENGTH TECHNIQUES, The Journal of chemical physics, 105(12), 1996, pp. 4927-4937
POTENTIAL-ENERGY SURFACE FOR INTERACTIONS BETWEEN N-2 AND HE - AB-INITIO CALCULATIONS, ANALYTIC FITS, AND 2ND VIRIAL-COEFFICIENTS
Authors: HU CH THAKKAR AJ
Citation: Ch. Hu et Aj. Thakkar, POTENTIAL-ENERGY SURFACE FOR INTERACTIONS BETWEEN N-2 AND HE - AB-INITIO CALCULATIONS, ANALYTIC FITS, AND 2ND VIRIAL-COEFFICIENTS, The Journal of chemical physics, 104(7), 1996, pp. 2541-2547
POLARIZABILITIES OF HETEROAROMATIC MOLECULES - AZINES REVISITED
Authors: DOERKSEN RJ THAKKAR AJ
Citation: Rj. Doerksen et Aj. Thakkar, POLARIZABILITIES OF HETEROAROMATIC MOLECULES - AZINES REVISITED, International journal of quantum chemistry, 60(7), 1996, pp. 421-430
KINETIC-ENERGY ANALYSIS OF ATOMIC MULTIPLETS
Authors: KOGA T THAKKAR AJ
Citation: T. Koga et Aj. Thakkar, KINETIC-ENERGY ANALYSIS OF ATOMIC MULTIPLETS, International journal of quantum chemistry, 57(1), 1996, pp. 89-94
MOMENTS OF THE QUADRUPOLE OSCILLATOR STRENGTH DISTRIBUTION FOR O-2, N-2, CO, HF, HCL, N2O, CO2, OCS, CS2 AND C2H2 - AB-INITIO SUM-RULE CALCULATIONS
Authors: BUNDGEN P THAKKAR AJ GREIN F ERNZERHOF M MARIAN CM NESTMANN B
Citation: P. Bundgen et al., MOMENTS OF THE QUADRUPOLE OSCILLATOR STRENGTH DISTRIBUTION FOR O-2, N-2, CO, HF, HCL, N2O, CO2, OCS, CS2 AND C2H2 - AB-INITIO SUM-RULE CALCULATIONS, Chemical physics letters, 261(6), 1996, pp. 625-632
KINETIC-ENERGY ANALYSIS OF ATOMIC MULTIPLETS .2. S(M)D(N) CONFIGURATIONS
Authors: KOGA T AOKI H THAKKAR AJ
Citation: T. Koga et al., KINETIC-ENERGY ANALYSIS OF ATOMIC MULTIPLETS .2. S(M)D(N) CONFIGURATIONS, Canadian journal of chemistry, 74(6), 1996, pp. 775-780
IMPROVED ROTHAAN-HARTREE-FOCK WAVE-FUNCTIONS FOR ISOELECTRONIC SERIESOF THE ATOMS HE TO NE
Authors: KOGA T OMURA M TERUYA H THAKKAR AJ
Citation: T. Koga et al., IMPROVED ROTHAAN-HARTREE-FOCK WAVE-FUNCTIONS FOR ISOELECTRONIC SERIESOF THE ATOMS HE TO NE, Journal of physics. B, Atomic molecular and optical physics, 28(15), 1995, pp. 3113-3121
ACCURATE HEITLER-LONDON INTERACTION ENERGY FOR HE-2
Authors: KOMASA J THAKKAR AJ
Citation: J. Komasa et Aj. Thakkar, ACCURATE HEITLER-LONDON INTERACTION ENERGY FOR HE-2, Journal of molecular structure. Theochem, 343, 1995, pp. 43-48
DIPOLE AND QUADRUPOLE-MOMENTS OF SMALL MOLECULES - AN AB-INITIO STUDYUSING PERTURBATIVELY CORRECTED, MULTIREFERENCE, CONFIGURATION-INTERACTION WAVE-FUNCTIONS
Authors: BUNDGEN P GREIN F THAKKAR AJ
Citation: P. Bundgen et al., DIPOLE AND QUADRUPOLE-MOMENTS OF SMALL MOLECULES - AN AB-INITIO STUDYUSING PERTURBATIVELY CORRECTED, MULTIREFERENCE, CONFIGURATION-INTERACTION WAVE-FUNCTIONS, Journal of molecular structure. Theochem, 334(1), 1995, pp. 7-13
ROOTHAAN-HARTREE-FOCK WAVE-FUNCTIONS FOR CATIONS AND ANIONS IN SLATER-TYPE BASIS-SETS WITH DOUBLY EVEN TEMPERED EXPONENTS
Authors: KOGA T SHIBATA E THAKKAR AJ
Citation: T. Koga et al., ROOTHAAN-HARTREE-FOCK WAVE-FUNCTIONS FOR CATIONS AND ANIONS IN SLATER-TYPE BASIS-SETS WITH DOUBLY EVEN TEMPERED EXPONENTS, Theoretica Chimica Acta, 91(1-2), 1995, pp. 47-66
Risultati: 1-25 | 26-50 | 51-60