{"id":450,"date":"2010-07-12T23:41:14","date_gmt":"2010-07-12T21:41:14","guid":{"rendered":"http:\/\/www.ehu.es\/chemistry\/theory\/wordpress\/?p=450"},"modified":"2022-02-09T09:59:03","modified_gmt":"2022-02-09T08:59:03","slug":"1985-1994","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/3_publications\/1985-1994\/","title":{"rendered":"1985-1994"},"content":{"rendered":"

43<\/strong>. X. Lopez, A. Irigoras, J. M. Ugalde, F. P. Coss\u00edo, “Characterization of the P+Ln Ion Molecule Clusters of the First- and Second-Row Hydrides<\/em>“, Journal of the American Chemical Society, vol.116, iss.23, p.10670-10678, (1994) . DOI: 10.1021\/ja00102a036<\/a><\/p>\n

42<\/strong>. B. Lecea, A. Arrieta, G. Roa, J. M. Ugalde, F. P. Coss\u00edo, “Catalytic and Solvent Effects on the Cycloaddition Reaction between Ketenes and Carbonyl Compounds To Form 2-Oxetanones<\/em>“, Journal of the American Chemical Society, vol.116, iss.21, p.9613-9619, (1994) . DOI: 10.1021\/ja00100a028<\/a><\/p>\n

41<\/strong>. I. Arrastia, A. Arrieta, J. M. Ugalde, F. P. Cosso, B. Lecea, “Theoretical and experimental studies on the periselectivity of the cycloaddition reaction between activated ketenes and conjugated imines<\/em>“, Tetrahedron Letters, vol.35, iss.42, p.7825-7828, (1994) . DOI: 10.1016\/0040-4039(94)80128-2<\/a><\/p>\n

40<\/strong>. A. Arrieta, J. M. Ugalde, F. P. Coss\u00edo, B. Lecea, “Role of the isomerization pathways in the Staudinger reaction. A theoretical study on the interaction between activated ketenes and imidates<\/em>“, Tetrahedron Letters, vol.35, iss.25, p.4465-4468, (1994) . DOI: 10.1016\/S0040-4039(00)73385-5<\/a><\/p>\n

39<\/strong>. A. Largo, C. Barrientos, X. Lopez, J. M. Ugalde, “Theoretical Study of the C2P Radical and (C2P)+ Species<\/em>“, The Journal of Physical Chemistry, vol.98, iss.15, p.3985-3988, (1994) . DOI: 10.1021\/j100066a013<\/a><\/p>\n

38<\/strong>. J. M. Ugalde, C. Sarasola, “Upper bounds to the electron-electron coalescence density in terms of the one-electron density function<\/em>“, Physical Review A, vol.49, iss.4, p.3081-3082, (1994) . DOI: 10.1103\/PhysRevA.49.3081<\/a><\/p>\n

37<\/strong>. X. Lopez, J. M. Ugalde, F. P. Cossio, A. Largo, C. Barrientos, “Topological Analysis of the Charge Density for Phosphorus Ion Molecule Complexes Bound to Water and Ammonia Molecules<\/em>“, The Journal of Physical Chemistry, vol.98, iss.12, p.3148-3153, (1994) . DOI: 10.1021\/j100063a017<\/a><\/p>\n

36<\/strong>. F. P. Coss\u00edo, A. Arrieta, B. Lecea, J. M. Ugalde, “Chiral Control in the Staudinger Reaction between Ketenes and Imines. A Theoretical SCF-MO Study on Asymmetric Torquoselectivity<\/em>“, Journal of the American Chemical Society, vol.116, iss.5, p.2085-2093, (1994) . DOI: 10.1021\/ja00084a054<\/a><\/p>\n

35<\/strong>. X. Lopez, F. P. Coss\u00edo, J. M. Ugalde, C. Barrientos, A. Largo, “Ab Initio Characterization of Gaseous (CO2P)+ Species<\/em>“, The Journal of Physical Chemistry, vol.98, iss.9, p.2294-2297, (1994) . DOI: 10.1021\/j100060a014<\/a><\/p>\n

34<\/strong>. J. M. Ugalde, C. Sarasola, M. Aguado, “Exchange energy from Gaussian-type basis sets<\/em>“, Journal of Physics B: Atomic, Molecular and Optical Physics,  the Chemical Society, Chemical Communications, vol.27, iss.3, p.423-427, (1994) . DOI: 10.1088\/0953-4075\/27\/3\/009<\/a><\/p>\n

33<\/strong>. F. P. Coss\u00edo, B. Lecea, X. Lopez, G. Roa, A. Arrieta, J. M. Ugalde, “An ab initio study on the mechanism of the alkene?isocyanate cycloaddition reaction to form ?-lactams<\/em>“, Journal of the Chemical Society, Chemical Communications, vol. 1993, iss.18, p.1450-1452, (1993) . DOI: 10.1039\/C39930001450<\/a><\/p>\n

32<\/strong>. J. Maiz, A. Arrieta, X. Lopez, J. M. Ugalde, F. P. Coss\u00edo, B. Lecea, “Transition structures for the reformatsky reaction. A theoretical (MNDO-PM3) study.<\/em>“, Tetrahedron Letters, vol.34, iss.38, p.6111-6114, (1993) . DOI: 10.1016\/S0040-4039(00)61743-4<\/a><\/p>\n

31<\/strong>. X. Lopez, J. M. Ugalde, F. P. Coss\u00edo, B. Lecea, A. Largo, C. Barrientos, “Ab-initio study of phosphorus ion complexes of ammonia and water<\/em>“, The Journal of Physical Chemistry, vol.97, iss.37, p.9337-9340, (1993) . DOI: 10.1021\/j100139a014<\/a><\/p>\n

30<\/strong>. C. Sarasola, X. Lopez, C. Barrientos, A. Largo, J. M. Ugalde, A. Arrieta, “Ab initio characterization of novel gaseous phosphorus oxide ((PO)2+) species<\/em>“, The Journal of Physical Chemistry, vol.97, iss.22, p.5860-5863, (1993) . DOI: 10.1021\/j100124a013<\/a><\/p>\n

29<\/strong>. X. Lopez, C. Sarasola, A. Largo, C. Barrientos, J. M. Ugalde, B. Lecea, “Ab initio characterization of gaseous phosphorus oxide (P2O2)<\/em>“, The Journal of Physical Chemistry, vol.97, iss.16, p.4078-4079, (1993) . DOI: 10.1021\/j100118a024<\/a><\/p>\n

28<\/strong>. X. Lopez, J. M. Ugalde, C. Barrientos, A. Largo, P. Redondo, “Theoretical study of possible processes for the interstellar production of phosphorus compounds. Reaction of phosphorus(1+) with hydrogen sulfide<\/em>“, The Journal of Physical Chemistry, vol.97, iss.8, p.1521-1525, (1993) . DOI: 10.1021\/j100110a011<\/a><\/p>\n

27<\/strong>. F. P. Cossio, J. M. Ugalde, X. Lopez, B. Lecea, C. Palomo, “A semiempirical theoretical study on the formation of .beta.-lactams from ketenes and imines<\/em>“, Journal of the American Chemical Society, vol.115, iss.3, p.995-1004, (1993) . DOI: 10.1021\/ja00056a026<\/a><\/p>\n

26<\/strong>. J. M. Ugalde, “An ab initio SCF-MO study of the decomposition reaction of nitrosoethylene to formaldehyde and hydrogen cyanide<\/em>“, Journal of Molecular Structure: THEOCHEM, vol.258, iss.1-2, p.167-174, (1992) . DOI: 10.1016\/0166-1280(92)85038-M<\/a><\/p>\n

25<\/strong>. C. Sarasola, L. Dominguez, M. Aguado, J. M. Ugalde, “The Laplacian of the intracule and extracule densities and their relationship to the shell structure of atoms<\/em>“, The Journal of Chemical Physics, vol.96, iss.9, p.6778-6783, (1992) . DOI: 10.1063\/1.462566<\/a><\/p>\n

24<\/strong>. L Dominguez, M Aguado, C Sarasola, J M Ugalde, “Analysis of the electron pair density for the ground state of carbon dioxide<\/em>“, Journal of Physics B: Atomic, Molecular and Optical Physics, vol.25, iss.6, p.1137-1145, (1992) . DOI: 10.1088\/0953-4075\/25\/6\/005<\/a><\/p>\n

23<\/strong>. M. Aguado, C. Sarasola, L. Dominguez, J.M. Ugalde, “Moments of the electron-pair distribution function for first row diatomic molecules<\/em>“, Journal of Molecular Structure: THEOCHEM, vol.253, p.311-318, (1992) . DOI: 10.1016\/0166-1280(92)87116-H<\/a><\/p>\n

22<\/strong>. A. Largo, J. R. Flores, C. Barrientos, J. M. Ugalde, “Theoretical studies of possible processes for interstellar production of phosphorus compounds: reaction of phosphorus(1+) with methane<\/em>“, The Journal of Physical Chemistry, vol.95, iss.17, p.6553-6557, (1991) . DOI: 10.1021\/j100170a034<\/a><\/p>\n

21<\/strong>. A. Largo, P. Redondo, C. Barrientos, J. M. Ugalde, “Theoretical studies of possible processes for the interstellar production of phosphorus compounds: reaction of phosphorus(1+) with water<\/em>“, The Journal of Physical Chemistry, vol.95, iss.14, p.5443-5445, (1991) . DOI: 10.1021\/j100167a019<\/a><\/p>\n

20<\/strong>. P. Redondo, A. Largo, C. Barrientos, J. M. Ugalde, “A theoretical study of the structures and stabilities of (H2PO)+ species and the proton affinities of HPO and POH<\/em>“, The Journal of Physical Chemistry, vol.95, iss.11, p.4318-4323, (1991) . DOI: 10.1021\/j100164a027<\/a><\/p>\n

19<\/strong>. A. Largo, J. R. Flores, C. Barrientos, J. M. Ugalde, “Theoretical studies of possible processes for the interstellar production of phosphorus compounds: reaction of phosphorus(1+) with ammonia”, The Journal of Physical Chemistry, vol.95, iss.1, p.170-175, (1991) . DOI: 10.1021\/j100154a034<\/a><\/p>\n

18<\/strong>. J. M. Ugalde, C. Sarasola, L. Dom\u00ednguez, R. J. Boyd, “The evaluation of electronic extracule and intracule densities and related probability functions in terms of Gaussian basis functions<\/em>“, Journal of Mathematical Chemistry, vol.6, iss.1, p.51-61, (1991) . DOI: 10.1007\/BF01192573<\/a><\/p>\n

17<\/strong>. C. Sarasola, F. P. Cosso, J. M. Ugalde, “Conformations and charge distributions in fluoronitrosoethylenes and nitrosoethylene<\/em>“, Canadian Journal of Chemistry, vol.68, iss.5, p.762-769, (1990) . DOI: 10.1139\/v90-120<\/a><\/p>\n

16<\/strong>. C. Sarasola, J. M. Ugalde, R. J. Boyd, “The evaluation of extracule and intracule densities in the first-row hydrides, LiH, BeH, BH, CH, NH, OH and FH, from self-consistent field molecular orbital wavefunctions<\/em>“, Journal of Physics B: Atomic, Molecular and Optical Physics, vol.23, iss.7, p.1095-1105, (1990) . DOI: 10.1088\/0953-4075\/23\/7\/007<\/a><\/p>\n

15<\/strong>. C. Sarasola, S. C. Choi, J. M. Ugalde, R. J. Boyd, “Topological evidence for an N-N bond in cis-1,2-dinitrosoethene: The remarkable structure of the di-N-oxide of 1,2-diazacyclobutadiene<\/em>“, Journal of Physical Organic Chemistry, vol.3, iss.3, p.143-146, (1990) . DOI: 10.1002\/poc.610030303<\/a><\/p>\n

14<\/strong>. J. L. Minchol\u00e9, J. M. Ugalde, P. M. Echenique, “Dynamic screening of swift hydrogenlike ions moving in condensed matter<\/em>“, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol.48, iss.1-4, p.21-24, (1990) . DOI: 10.1016\/0168-583X(90)90064-2<\/a><\/p>\n

13<\/strong>. E. Sedano, C. Sarasola, J. M. Ugalde, “Conformations and charges distributions in 1,2-dinitrosoethylene and furoxan: 2.-ab initio electrostatic potentials and relative bond strengths<\/em>“, Tetrahedron, vol.45, iss.20, p.6537-6544, (1989) . DOI: 10.1016\/S0040-4020(01)89530-2<\/a><\/p>\n

12<\/strong>. E. Sedano, C. Sarasola, J. M. Ugalde, I. X. Irazabalbeitia, A. Gonzalez Guerrero, “Conformations and charge distributions in 1,2-dinitrosoethylene and furoxan. 1. An ab initio molecular orbital study<\/em>“, The Journal of Physical Chemistry, vol.92, iss.18, p.5094-5096, (1988) . DOI: 10.1021\/j100329a009<\/a><\/p>\n

11<\/strong>. R. J. Boyd, C. Sarasola, J. M. Ugalde, “Intracule densities and electron correlation in the hydrogen molecule<\/em>“, Journal of Physics B: Atomic, Molecular and Optical Physics, vol.21, iss.14, p.2555-2561, (1988) . DOI: 10.1088\/0953-4075\/21\/14\/008<\/a><\/p>\n

10<\/strong>. J. M. Ugalde, C. Sarasola, P. M. Echenique, “Dynamic screening of He-like ions<\/em>“, Journal of Physics B: Atomic, Molecular and Optical Physics, vol.21, iss.14, p.L415-L417, (1988) . DOI: 10.1088\/0953-4075\/21\/14\/005<\/a><\/p>\n

9<\/strong>. J. M. Ugalde, C. Sarasola, P. Echenique, R. Ritchie, “Vicinage effect in inner-shell ionization<\/em>“, Physical Review B, vol.38, iss.1, p.735-736, (1988) . DOI: 10.1103\/PhysRevB.38.735<\/a><\/p>\n

8.<\/strong>. E. Sedano, J. M. Ugalde, F. P. Cosso, C. Palomo, “Mo studies on beta-lactams.- I. On the structure and reactivity of azetidin-2-one with split-valence basis sets.<\/em>“, Journal of Molecular Structure: THEOCHEM, vol.166, iss.[], p.481-486, (1988) . DOI: 10.1016\/0166-1280(88)80481-0<\/a><\/p>\n

7<\/strong>. J. M. Ugalde, R. J. Boyd, J. S. Perkyns, “Angular aspects of electron correlation and the Coulomb hole. 2. The 2 1S and the 2 3S excited-states of helium<\/em>“, Journal of Chemical Physics, vol.87, iss.2, p.1216-1219, (1987) . DOI: 10.1063\/1.453302<\/a><\/p>\n

6<\/strong>. J. M. Ugalde, “Exchange-correlation effects in momentum space for atoms: an analysis of the isoelectronic series of Li<\/em> 2S and Be 1S”, Journal of Physics B: Atomic and Molecular Physics, vol.20, iss.10, p.2153-2163, (1987) . DOI: 10.1088\/0022-3700\/20\/10\/009<\/a><\/p>\n

5<\/strong>. J. M. Ugalde, R. J. Boyd, “On the relationship between the electron-pair distribution function and the correlation energy of an atom<\/em>“, International Journal of Quantum Chemistry, vol.29, iss.1, p.1-9, (1986) . DOI: 10.1002\/qua.560290102<\/a><\/p>\n

4<\/strong>. J. M. Ugalde, R. J. Boyd, “The effect of electron correlation on one-electron properties in the 2 3S and 2 1S excited states of the helium atom<\/em>“, Chemical Physics Letters, vol.114, iss.2, p.197-200, (1985) . DOI: 10.1016\/0009-2614(85)85086-7<\/a><\/p>\n

3<\/strong>. J. M. Ugalde, R. J. Boyd, “Angular aspects of exchange correlation and the Fermi hole<\/em>“, International Journal of Quantum Chemistry, vol.27, iss.4, p.439-449, (1985) . DOI: 10.1002\/qua.560270408<\/a><\/p>\n

2<\/strong>. J. M. Ugalde, “An analysis of the exchange correlation effects in the isoelectronic series of the 2<\/sup>S ground state of lithium in terms of the interelectronic distance<\/em>“, Journal of Physics B: Atomic and Molecular Physics, vol.18, iss.20, p.4019-4029, (1985) . DOI: 10.1088\/0022-3700\/18\/20\/006<\/a><\/p>\n

1<\/strong>. J. M. Ugalde, R. J. Boyd, “The radius of the Fermi hole in atoms<\/em>“, Journal of Physics B: Atomic and Molecular Physics, vol.18, iss.20, p.L701-L705, (1985) . DOI: 10.1088\/0022-3700\/18\/20\/001<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

43. X. Lopez, A. Irigoras, J. M. Ugalde, F. P. Coss\u00edo, “Characterization of the P+Ln Ion Molecule Clusters of the First- and Second-Row Hydrides“, Journal of the American Chemical Society, vol.116, iss.23, p.10670-10678, (1994) . DOI: 10.1021\/ja00102a036 42. B. Lecea, A. Arrieta, G. Roa, J. M. Ugalde, F. P. Coss\u00edo, “Catalytic and Solvent Effects on […]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[68],"tags":[],"class_list":["post-450","post","type-post","status-publish","format-standard","hentry","category-3_publications"],"blocksy_meta":[],"acf":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/450","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/comments?post=450"}],"version-history":[{"count":41,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/450\/revisions"}],"predecessor-version":[{"id":15615,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/450\/revisions\/15615"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=450"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/categories?post=450"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/tags?post=450"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}