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Results 1 to 25 of 487

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Ab initio phonon quantities of simple metals from Hartree-Fock cluster techniques = Quantités de phonons ab initio de métaux simples à partir de techniques d'amas Hartree-FockZDETSIS, A. D.Physical review. B, Condensed matter. 1987, Vol 35, Num 11, pp 5868-5871, issn 0163-1829Article

Energies of nickel-like 4d to 4p laser linesSCOFIELD, J. H; MACGOWAN, B. J.Physica scripta (Print). 1992, Vol 46, Num 4, pp 361-364, issn 0031-8949Article

Generalized microscopic model of anomalous muonium and its hydrogen analog in siliconMYALEN'KAYA, G. S; GUTSEV, G. L; SAMOILOV, V. M et al.Soviet physics. Semiconductors. 1991, Vol 25, Num 6, pp 586-589, issn 0038-5700Article

Transition orbitalsGIRAUD, B. G; NAGARAJAN, M. A.Annals of physics (Print). 1991, Vol 212, Num 2, pp 260-284, issn 0003-4916Article

Neutral versus ionic interactions in abinitio chemisorption cluster model calculations: halogens on mercuryBLANCO, M; RICART, J. M; RUBIO, J et al.Journal of electroanalytical chemistry and interfacial electrochemistry. 1989, Vol 267, Num 1-2, pp 243-250, issn 0022-0728Article

Periodic ab initio study of the oxidizing sites in Ti-containing zeolitesZICOVICH-WILSON, C; DOVESI, R.Journal of molecular catalysis. A, Chemical. 1997, Vol 119, Num 1-3, pp 449-458, issn 1381-1169Conference Paper

Transmission coefficient of ballistic junctions: the role of Coulomb interactionAPENKO, S. M; BLANTER, YA. M; LOZOVIK, YU. E et al.Physics letters. A. 1993, Vol 176, Num 1-2, pp 137-140, issn 0375-9601Article

Monohydration selectivity mechanism of Alkali cations in the potassium channel of excitable biomembranesKARIEV, A. M; OVCHINNIKOV, A. A.International journal of quantum chemistry. 1991, Vol 39, Num 2, pp 131-147, issn 0020-7608, 17 p.Article

On the electronic structure and conduction properties of aperiodic DNA and proteins. IV: Electronic structure of aperiodic proteinsBAKHSHI, A. K; LADIK, J; SEEL, M et al.Chemical physics. 1986, Vol 108, Num 2, pp 233-241, issn 0301-0104Article

Are the dimers of the Si(001)(2×1) surface antiferromagnetic ?VINCHON, T; OLES, A. M; SPANJAARD, D et al.Surface science. 1993, Vol 287-288, pp 534-538, issn 0039-6028, aConference Paper

Magnetorotons in quasi-one-dimensional electron systems in the absence of Kohn's theoremYANG, S.-R. E; AERS, G. C.Physical review. B, Condensed matter. 1992, Vol 46, Num 19, pp 12456-12459, issn 0163-1829Article

Localized π electron states in polydiacetylene oligomersKOLLMAR, C.Chemical physics. 1994, Vol 182, Num 2-3, pp 131-147, issn 0301-0104Article

The applicability of scaling laws in tight-binding molecular-dynamicsLATHIOTAKIS, N; ANDRIOTIS, A. N.Solid state communications. 1993, Vol 87, Num 10, pp 871-875, issn 0038-1098Article

From uncoupled to coupled Hartree-fock polarizabilities of infinite polymeric chains. Parisser-Parr-Pople applications to the polyacetylene c hainsCHAMPAGNE, B; FRIPIAT, J. G; ANDRE, J.-M et al.The Journal of chemical physics. 1992, Vol 96, Num 11, pp 8330-8337, issn 0021-9606Article

Itinerant-electron, one-dimensional magnetic superlatticesHOOD, R. Q; FALICOV, L. M.Physical review. B, Condensed matter. 1991, Vol 44, Num 18, pp 9989-9996, issn 0163-1829Article

Nuclear Hartree-Fock calculations with splinesUMAR, A. S; STRAYER, M. R; WU, J.-S et al.Physical review. C. Nuclear physics. 1991, Vol 44, Num 6, pp 2512-2521, issn 0556-2813Article

Particularités structurales et propriétés moléculaires des complexes chargés se formant en cas d'introduction d'ions positifs dans les gaz inertesPOTAPOV, S. G; SUKHANOV, L. P; GUTSEV, G. L et al.Žurnal fizičeskoj himii. 1989, Vol 63, Num 4, pp 865-876, issn 0044-4537, 12 p.Article

A Bloembergen-Purcell-Pound 13C NMR relaxation study of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate : Analytical and bioanalytical applicationsCARPER, W. R; WAHLBECK, P. G; ANTONY, J. H et al.Analytical and bioanalytical chemistry. 2004, Vol 378, Num 6, pp 1548-1554, 7 p.Article

Toward efficient Zn(II)-based artificial nucleasesBOSEGGIA, Elisa; GATOS, Maddalena; LUCATELLO, Lorena et al.Journal of the American Chemical Society. 2004, Vol 126, Num 14, pp 4543-4549, issn 0002-7863, 7 p.Article

From dimerization, to cycloaddition, to atom transfer cyclization: The further chemistry of TMM diradicalsMAITI, Arup; GERKEN, James B; MASJEDIZADEH, Mohammad R et al.Journal of organic chemistry. 2004, Vol 69, Num 25, pp 8574-8582, issn 0022-3263, 9 p.Article

Studying the length of trans conformational sequences in polyethylene using Raman spectroscopy: a computational studyMEIER, Robert J.Polymer (Guildford). 2002, Vol 43, Num 2, pp 517-522, issn 0032-3861Article

Triplet excitons in BBLYEATES, A. T; DUDIS, D. S; CONNOLLY, J. W et al.Synthetic metals. 2001, Vol 116, Num 1-3, pp 289-291, issn 0379-6779Conference Paper

Quantum mechanical investigations of photoactive molecules and design of molecular machine and logical devicesTAMULIS, Arvydas; TAMULIENE, Jelena; BALEVICIUS, Mindaugas L et al.SPIE proceedings series. 2000, pp 61-68, isbn 0-8194-3556-2Conference Paper

Calculation of ab initio dynamic polarizabilities of conjugated polymers I. Polyacetylene with interchain interactionsOTTO, P; FENG LONG GU; LADIK, J et al.Synthetic metals. 1998, Vol 93, Num 3, pp 161-167, issn 0379-6779Article

Molecular simulations in a heterogeneous computer environment : Toward reality in scientific simulations: NEC's 21st Century OdysseyHIRAHARA, Y; YAMAMOTO, A; OKAMOTO, N et al.NEC research & development. 1998, Vol 39, Num 4, pp 439-444, issn 0547-051XArticle

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