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Results 1 to 25 of 10799

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Computational complexity in electronic structureWHITFIELD, James Daniel; LOVED, Peter John; ASPURU-GUZIK, Alán et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 2, pp 397-411, issn 1463-9076, 15 p.Article

Iron at earth-core conditions : A novel method of advanced materials processingMODAK, P; VERMA, A. K; RAO, R. S et al.Journal of materials science. 2006, Vol 41, Num 5, pp 1523-1527, issn 0022-2461, 5 p.Conference Paper

Hybrid nanotube―graphene junctions: spin degeneracy breaking and tunable electronic structureQU, Zhi-Bei; LI GU; MEINA LI et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 46, pp 20281-20287, issn 1463-9076, 7 p.Article

Structure and bonding trends in two- and three-coordinate boron cationsSCHNEIDER, W. F; NARULA, C. K; NÖTH, H et al.Inorganic chemistry (Print). 1991, Vol 30, Num 20, pp 3919-3927, issn 0020-1669Article

Generalized separable potentials for electronic-structure calculationsBLÖCHL, P. E.Physical review. B, Condensed matter. 1990, Vol 41, Num 8, pp 5414-5416, issn 0163-1829Article

Interplay between electronic structure and correlation through the s-d mixing in transition metal systemsKANAMORI, J.Progress of theoretical physics. Supplement. 1990, Num 101, pp 1-10, issn 0375-9687Article

A theoretical investigation of electron sub-bands of quasi-periodic semiconductor superlatticesGUOYI QIN.Journal of physics. C. Solid state physics. 1988, Vol 21, Num 28, pp 4989-4998, issn 0022-3719Article

An X-ray absorption spectroscopic study of the effect of bond covalency on the electronic structure of Gd2Ti2―xSnxO7RANI ALURI, Esther; GROSVENOR, Andrew P.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 25, pp 10477-10486, issn 1463-9076, 10 p.Article

A complete classification of stable symmetries of the Jahn-Teller systemsBREZA, M.Collection of Czechoslovak chemical communications. 1990, Vol 55, Num 9, pp 2119-2130, issn 0010-0765Article

Modular libraries and literate programming in software for ab initio atomic and molecular electronic structure calculationsBUNGE, C. F; CISNEROS, G.Computers & chemistry. 1988, Vol 12, Num 2, pp 85-89, issn 0097-8485Article

A novel series of photocatalysts M2.5VMoO8 (M = Mg, Zn) for O2 evolution under visible light irradiationWANG, Defa; ZOU, Zhigang; YE, Jinhua et al.Catalysis today. 2004, Vol 93-95, pp 891-894, issn 0920-5861, 4 p.Conference Paper

Theoretical studies on electronic structures of polypeptide chainsTAKEDA, K; SHIRAISHI, K.Journal of the Physical Society of Japan. 1996, Vol 65, Num 2, pp 421-438, issn 0031-9015Article

Theoretical studies on (μ-S2CR) bridged cyclopentadienyl molybdenum dimersPRASAD, B. V; SATYANARAYANA REDDY, C; JEMMIS, E. D et al.Inorganica chimica acta. 1989, Vol 162, Num 2, pp 281-285, issn 0020-1693, 5 p.Article

Structure and dynamics of SI interstitials at SI(001) and SI(001)/SIO2KIRICHENKO, Taras A; YU, Decai; BANERJEE, Sanjay K et al.Proceedings - Electrochemical Society. 2004, pp 112-119, issn 0161-6374, isbn 1-56677-406-3, 8 p.Conference Paper

Electronic structure of metallic alloys through Auger electron spectroscopyKLEIMAN, G. G.Journal of physics. Condensed matter (Print). 1993, Vol 5, Num 33A, pp A167-A168, issn 0953-8984, SUPConference Paper

Spatially resolved electronic modifications of a thin poly(acrylonitrile) film induced by a synchrotron radiation white beamGUAY, D; TOURILLON, G; VIEL, P et al.Journal of physical chemistry (1952). 1992, Vol 96, Num 14, pp 5917-5921, issn 0022-3654Article

Modelling of electronic structureHILIER, I. H; PALMER, M. H; PRICE, S. L et al.Chemistry in Britain. 1990, Vol 26, Num 11, pp 1075-1077, issn 0009-3106Article

Electronic structure and conformational statistics of conjugated polymers in solution: a Fermi system with annealed disorderROSSI, G; VIALLAT, A.Physical review. B, Condensed matter. 1989, Vol 40, Num 14, pp 10036-10039, issn 0163-1829, 4 p.Article

Electronic structures of polyethylene and polytetrafluoroethyleneSPRINGBORG, M; LEV, M.Physical review. B, Condensed matter. 1989, Vol 40, Num 5, pp 3333-3339, issn 0163-1829, 7 p.Article

Reformulation of generalized separable pseudopotentialsCHOU, M. Y.Physical review. B, Condensed matter. 1992, Vol 45, Num 20, pp 11465-11468, issn 0163-1829Article

Electron structure and degree of ionicity of diamond-like semiconductors considered in the approximation of the method of crystalline functions of componentsSLOBODYAN, V. Z; RADEVICH, E. I; GAVALESHKO, N. P et al.Soviet physics. Semiconductors. 1991, Vol 25, Num 5, pp 556-557, issn 0038-5700Article

Squeezed Fermion statesSVOZIL, K.Physical review letters. 1990, Vol 65, Num 26, pp 3341-3343, issn 0031-9007, 3 p.Article

Generalised KKR theory for non-muffin-tin potentialsMOLENAAR, J.Journal of physics. Condensed matter (Print). 1989, Vol 1, Num 37, pp 6559-6570, issn 0953-8984Article

The hypervirial condition in the Hückel modelISIHARA, M.Bulletin of the Chemical Society of Japan. 1989, Vol 62, Num 7, pp 2284-2295, issn 0009-2673, 12 p.Article

K-shell electron binding energy of metallic Mg and Ca = Energie de liaison des électrons de la couche K de Mg et Ca métalliquesZDETSIS, A. D.Physical review. B, Condensed matter. 1988, Vol 37, Num 9, pp 4764-4765, issn 0163-1829Article

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