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Rapid Calculation of Accurate Atomic Charges for Proteins via the Electronegativity Equalization MethodIONESCU, Crina-Maria; GEIDL, Stanislav; RADKA SVOBODOVA VAREKOVA et al.Journal of chemical information and modeling. 2013, Vol 53, Num 10, pp 2548-2558, issn 1549-9596, 11 p.Article

Three-dimensional confinement: WKB revisitedSINHA, Anjana.Journal of mathematical chemistry. 2003, Vol 34, Num 3-4, pp 201-213, issn 0259-9791, 13 p.Article

Charge monotonicity of atomic systems and radial expectation valuesANGULO, J. C; DEHESA, J. S.Zeitschrift für Physik. D, atoms, molecules and clusters. 1993, Vol 25, Num 4, pp 287-293, issn 0178-7683Article

Classical and quantum study of a generalized Kepler-Coulomb systemKIBLER, M; CAMPIGOTTO, C.International journal of quantum chemistry. 1993, Vol 45, Num 2, pp 209-224, issn 0020-7608Article

Constrained-search method to determine electronic wave functions from electronic densitiesZHAO, Q; PARR, R. G.The Journal of chemical physics. 1993, Vol 98, Num 1, pp 543-548, issn 0021-9606Article

Improved propagators for the path integral study of quantum systemsPRATES RAMALHO, J. P; CABRAL, B. J. C; FERNANDES, F. M. S. S et al.The Journal of chemical physics. 1993, Vol 98, Num 4, pp 3300-3305, issn 0021-9606Article

Intramolecular aspects of the electron transfer in the biferrocenium mixed-valence cation, using PKS theoryBOUKHEDDADEN, K; LINARES, J; BOUSSEKSOU, A et al.Chemical physics. 1993, Vol 170, Num 1, pp 47-55, issn 0301-0104Article

Mean field theory as a tool for intramolecular conformational optimization. II: Tests on the homopolypeptides decaglycine and icosalanineOLSZEWSKI, K. A; PIELA, L; SCHERAGA, H. A et al.Journal of physical chemistry (1952). 1993, Vol 97, Num 1, pp 260-266, issn 0022-3654Article

Nonmonotonicity of the atomic electron momentum densitySAGAR, R. P; ESQUIVEL, R. O; SCHMIDER, H et al.Physical review. A. 1993, Vol 47, Num 4A, pp 2625-2627, issn 1050-2947, AArticle

On-site charge-density wave formation in one-dimensional chains investigated by Feynman path-integral quantum Monte Carlo calculationsBÖHM, M. C; SCHULTE, J; UTRERA, L et al.Chemical physics letters. 1993, Vol 202, Num 1-2, pp 37-43, issn 0009-2614Article

Oscillator strengths for P V, S VI, Cl VII, Ar VIII and K IXTIWARY, S. N; KUMAR, M; SINGH, D. D et al.Il Nuovo cimento. D. 1993, Vol 15, Num 1, pp 77-85, issn 0392-6737Article

Quantum adiabatic switchingKOHEN, D; TANNOR, D. J.The Journal of chemical physics. 1993, Vol 98, Num 4, pp 3168-3178, issn 0021-9606Article

Semiclassical treatment of avoided crossings in the quadratic Zeeman spectrum of hydrogenDUVERNOIS, M. A; BOORSTEIN, J. L; UZER, T et al.Physical review. A. 1993, Vol 47, Num 1, pp 53-56, issn 1050-2947Article

The determination of electron affinities of the open shell systems C and CH2 using the multiconfigurational spin tensor electron propagator methodYEAGER, D. L; NICHOLS, J. A; GOLAB, J. T et al.The Journal of chemical physics. 1993, Vol 98, Num 11, pp 8790-8800, issn 0021-9606Article

The vibrational Stark effectBISHOP, D. M.The Journal of chemical physics. 1993, Vol 98, Num 4, pp 3179-3184, issn 0021-9606Article

Time-to-energy transform of wavepackets using absorbing potentials time-independent wavepacket-Schrödinger and wavepacket-Lippman-Schwinger equationsKOURI, D. J; ARNOLD, M; HOFFMAN, D. K et al.Chemical physics letters. 1993, Vol 203, Num 2-3, pp 166-174, issn 0009-2614Article

État cohérent linéairement couplé avec des oscillateurs initialement dans leur état fondamental. Étude dynamique = Coherent state linearly coupled with N oscillators initially in their ground states. Dynamical studyBLAISE, P; GIRY, M; HENRI-ROUSSEAU, O et al.Comptes rendus de l'Académie des sciences. Série 2, Mécanique, Physique, Chimie, Sciences de l'univers, Sciences de la Terre. 1993, Vol 316, Num 7, pp 895-900, issn 0764-4450Article

A theory of electron baths : one-electron system dynamicsKEITH MCDOWELL, H.The Journal of chemical physics. 1992, Vol 96, Num 3, pp 2127-2140, issn 0021-9606Article

Calculation of the polarizability and hyperpolarizability tensors, at imaginary frequency, for H, He, and H2 and the dispersion polarizability coefficients for interactions between themBISHOP, D. M; PIPIN, J.The Journal of chemical physics. 1992, Vol 97, Num 5, pp 3375-3381, issn 0021-9606Article

Electric-dipole oscillator strengths of 2p63s2Se→2p53s22P0 transition in Mg II, Al III and Si IV ions of the Na I isoelectronic sequenceTIWARY, S. N; SINGH, D. D.Il Nuovo cimento. D. 1992, Vol 14, Num 7, pp 739-743, issn 0392-6737Article

On the asymptotic behavior of Hartree-Fock orbitalsISHIDA, T; OHNO, K.Theoretica chimica acta. 1992, Vol 81, Num 6, pp 355-364, issn 0040-5744Article

On the h→O limit of the Schrödinger equationSONG LING.The Journal of chemical physics. 1992, Vol 96, Num 10, pp 7869-7870, issn 0021-9606Article

Tight-binding model for hydrogen-silicon interactionsMIN, B. J; LEE, Y. H; WZNG, C. Z et al.Physical review. B, Condensed matter. 1992, Vol 45, Num 12, pp 6839-6843, issn 0163-1829Article

Investigation of the pseudo-harmonic oscillator by su(1,1) spectrum generating algebraBÜYÜKKILIC, F; DEMIRHAN, D; ÖZEREN, S. F et al.Chemical physics letters. 1992, Vol 194, Num 1-2, pp 9-12, issn 0009-2614Article

On the calculation of first-order properties : expectation value versus energy derivative approachERNZERHOF, M; MARIAN, C. M; PEYERIMHOFF, S. D et al.International journal of quantum chemistry. 1992, Vol 43, Num 5, pp 659-668, issn 0020-7608Article

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