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Modified milk-stool on wurtzite layer model for Si(111) 7×7 surface reconstructionSNYDER, L. C.Surface science. 1984, Vol 140, Num 1, pp 101-107, issn 0039-6028Article

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Conformational transitions and geometry differences between low-energy conformers of N-acetyl-N'-methyl alanineamide: ab an initio study at the 4-21G level with gradient relaxed geometriesSCHAFER, L; KLIMKOWSKI, V. J; MOMANY, F. A et al.Biopolymers. 1984, Vol 23, Num 11, pp 2335-2347, issn 0006-3525, 1Article

A quantum-chemical study of complexes of platinum with purine basesTULUB, A. A.Russian journal of inorganic chemistry. 1990, Vol 35, Num 8, pp 1176-1178, issn 0036-0236Article

Quantum chemical study of the bond activation for NO adsorbed on a Cu surfaceFERNANDEZ-GARCIA, M; CONESA, J. C; ILLAS, F et al.Solid state ionics. 1993, Vol 63-65, pp 777-780, issn 0167-2738Conference Paper

Photoemission, inverse photoemission, and ab initio SCF investigations of the electronic structure of polyimideMEYER, H. M. III; WAGENER, T. J; WEAVER, J. H et al.Chemical physics letters. 1989, Vol 164, Num 5, pp 527-532, issn 0009-2614Article

Demarcation and integration of gridded dataMCDOWELL, R. S; GRIER, D. L; STREITWIESER, A. JR et al.Computers & chemistry. 1985, Vol 9, Num 3, pp 165-169, issn 0097-8485Article

Conversion of thiourea dioxides to dioxygenBURGESS, E. M; ZOLLER, U; BURGER, R. L. JR et al.Journal of the American Chemical Society. 1984, Vol 106, Num 4, pp 1128-1130, issn 0002-7863Article

A principle of linear covariance for quantum mechanics and the electronic structure theory of molecules and other atom clustersSINANOGLU, O.Theoretica chimica acta. 1984, Vol 65, Num 4, pp 233-242, issn 0040-5744Article

Ab initio and pseudopotential calculations on the singlet and triplet states of the disilyne isomersKALCHER, J; SAX, A; OLBRICH, G et al.International journal of quantum chemistry. 1984, Vol 25, Num 3, pp 543-552, issn 0020-7608Article

Solution polymerization of N-tert-alkylacrylamides catalyzed by ZnCl₂. I: Study of the structure of complexesZURAKOWSKA-ORSZAGH, J; KAIM, A.Journal of polymer science. Polymer letters edition. 1984, Vol 22, Num 12, pp 649-657, issn 0360-6384Article

Comment on ab initio molecular orbital calculation of the methyl nitrite syn-anti isomerization potentialFARNELL, L; OGILVIE, J. F.Chemical physics letters. 1989, Vol 156, Num 1, pp 129-130, issn 0009-2614Article

A brief survey of the basic theoretical arguments on molecular structures and chemical bondingsLEROY, G.Journal of molecular structure. 1983, Vol 103, pp 45-56, issn 0022-2860, specArticle

Ionization energies and hydrogen-bond strength of the water clustersTOMODA, S; KIMURA, K.Chemical physics letters. 1983, Vol 102, Num 6, pp 560-564, issn 0009-2614Article

A generalized multistructural wave functionHOLLAUER, E; NASCIMENTO, M. A. C.The Journal of chemical physics. 1993, Vol 99, Num 2, pp 1207-1214, issn 0021-9606Article

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Bond-deficient moleculesEPIOTIS, N. D.Journal of the American Chemical Society. 1984, Vol 106, Num 11, pp 3170-3174, issn 0002-7863Article

Standard bond lengths for use in ab initio molecular orbital calculationsMARRIOTT, S; TOPSOM, R. D.Journal of molecular structure. 1984, Vol 110, Num 3-4, pp 337-340, issn 0022-2860Article