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Results 1 to 25 of 20072

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A high resolution infrared study of HCCCN-HCN and HCCCN-HFYANG, X; KERSTEL, E. R. T; SCOLES, G et al.The Journal of chemical physics. 1993, Vol 99, Num 1, pp 760-761, issn 0021-9606Article

A sum-over-states formulation of the diamagnetic contribution to the indirect nuclear spin-spin coupling constantSAUER, S. P. A.The Journal of chemical physics. 1993, Vol 98, Num 11, pp 9220-9221, issn 0021-9606Article

Coherent Raman observations of factor group splittings and lattice vibrations in nanocrystals formed in supersonic expansionsLEE, K. H; BROWN, K. W; TRIGGS, N. E et al.The Journal of chemical physics. 1993, Vol 98, Num 12, pp 10100-10101, issn 0021-9606Article

A Heisenberg Hamiltonian for intermolecular exchange interaction : spin delocalizatin and spin polarizationKOLLMAR, C; KAHN, O.The Journal of chemical physics. 1993, Vol 98, Num 1, pp 453-472, issn 0021-9606Article

A chain of states method for investigating infrequent event processes occurring in multistate, multidimensional systemsSEVICK, E. M; BELL, A. T; THEODOROU, D. N et al.The Journal of chemical physics. 1993, Vol 98, Num 4, pp 3196-3212, issn 0021-9606Article

A combined density functional and intrinsic reaction coordinate study on the ground state energy surface of H2COLIQUN DENG; ZIEGLER, T; LIANGYOU FAN et al.The Journal of chemical physics. 1993, Vol 99, Num 5, pp 3823-3835, issn 0021-9606Article

A comparison of unrestricted Hartree-Fock- and restricted open-shell Hartree-Fock-based methods for determining the magnetic hyperfine parameters of NO (X2Π)FELLER, D; GLENDENING, E. D; MCCULLOUGH, E. A et al.The Journal of chemical physics. 1993, Vol 99, Num 4, pp 2829-2840, issn 0021-9606Article

A density functional investigation on the structure and stability of the SiFn and SiFn- series, n=1-5GUTSEV, G. L.The Journal of chemical physics. 1993, Vol 99, Num 5, pp 3906-3912, issn 0021-9606Article

A new graphical representation for dielectric dataYAN-ZHEN WEI; SRIDHAR, S.The Journal of chemical physics. 1993, Vol 99, Num 4, pp 3119-3124, issn 0021-9606Article

A new method for the calculation of photodissociation cross sectionsSEIDEMAN, T.The Journal of chemical physics. 1993, Vol 98, Num 3, pp 1989-1998, issn 0021-9606Article

A new mixing of Hartree-Fock and local density-functional theoriesBECKE, A. D.The Journal of chemical physics. 1993, Vol 98, Num 2, pp 1372-1377, issn 0021-9606Article

A theoretical model of scanning tunneling microscopy : application to the graphite (0001) and Au(111) surfacesHUI OU-YANG; KÄLLEBRING, B; MARCUS, R. A et al.The Journal of chemical physics. 1993, Vol 98, Num 9, pp 7565-7573, issn 0021-9606Article

A theoretical study of the initial stages of Si(111)-7×7 oxidation. I: The molecular precursorSCHUBERT, B; AVOURIS, P; HOFFMANN, R et al.The Journal of chemical physics. 1993, Vol 98, Num 9, pp 7593-7605, issn 0021-9606Article

A theoretical study on the structure and stability of the PFn and PFn- series n=1-6GUTSEV, G. L.The Journal of chemical physics. 1993, Vol 98, Num 1, pp 444-452, issn 0021-9606Article

A van der Waals intermolecular potential for (O2)2BUSSERY, B; WORMER, P. E. S.The Journal of chemical physics. 1993, Vol 99, Num 2, pp 1230-1239, issn 0021-9606Article

A variational theory of classical solidsHONG SEOK KANG; REE, F. H.The Journal of chemical physics. 1993, Vol 99, Num 4, pp 2985-2991, issn 0021-9606Article

Ab initio and semiempirical methods for molecular dynamics simulations based on general Hartree-Fock theoryHAMMES-SCHIFFER, S; ANDERSEN, H. C.The Journal of chemical physics. 1993, Vol 99, Num 1, pp 523-532, issn 0021-9606Article

Ab initio electron density distributions in molecules containing sulfur-sulfur bondsBROWN, A. S; SMITH, V. H.The Journal of chemical physics. 1993, Vol 99, Num 3, pp 1837-1843, issn 0021-9606Article

Ab initio investigation of the vibronic structure of the 3p 2Π (Rydberg) state of HCO and DCOPERIC, M; PEYERIMHOFF, S. D.The Journal of chemical physics. 1993, Vol 98, Num 5, pp 3587-3591, issn 0021-9606Article

Ab initio model potential study of pressure effects on K2NaGaF6:Cr3+SEIJO, L; BARANDIARAN, Z; PETTERSSON, L. G. M et al.The Journal of chemical physics. 1993, Vol 98, Num 5, pp 4041-4046, issn 0021-9606Article

Accurate ab initio quartic force fields for the ions HCO+ and HOC+MARTIN, J. M. L; TAYLOR, P. R; LEE, T. J et al.The Journal of chemical physics. 1993, Vol 99, Num 1, pp 286-292, issn 0021-9606Article

Adsorbed chain-stretched coil : an unusual phase transitionGORBUNOV, A. A; SKVORTSOV, A. M.The Journal of chemical physics. 1993, Vol 98, Num 7, pp 5961-5970, issn 0021-9606Article

All-electron molecular Dirac-Hartree-Fock calculations : properties of the group IV monoxides GeO, SnOn, and PbODYALL, K. G.The Journal of chemical physics. 1993, Vol 98, Num 3, pp 2191-2197, issn 0021-9606Article

Alternative expressions for the fermi hole curvatureDOBSON, J. F.The Journal of chemical physics. 1993, Vol 98, Num 11, pp 8870-8872, issn 0021-9606Article

Angular distributions in electronically adiabatic hyperthermal collisions. An eikonal approachCOHEN, J. M; MICHA, D. A.The Journal of chemical physics. 1993, Vol 98, Num 3, pp 2023-2031, issn 0021-9606Article

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