Molecular structure

Listing items with Subject "Molecular structure"

23 items found

Showing titles from 0 to 23:

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FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2002 Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations? Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Sol脿 i Puig, Miquel
out url icon Recercat Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations? Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Sol脿 i Puig, Miquel
out url icon Recercat Comparison between alkalimetal and group 11 transition metal halide and hydride tetramers: Molecular structure and bonding El Hamdi Lahfid, Majid ; Sol脿 i Puig, Miquel ; Frenking, Gernot ; Poater i Teixidor, Jordi
doc icon DUGiDocs 2013 August 22 Comparison between alkalimetal and group 11 transition metal halide and hydride tetramers: Molecular structure and bonding El Hamdi Lahfid, Majid ; Sol脿 i Puig, Miquel ; Frenking, Gernot ; Poater i Teixidor, Jordi
doc icon DUGiDocs 2004 The curvature of the conical intersection seam: an approximate second-order analysis Paterson, Martin J. ; Bearpark, Michael J. ; Robb, Michael A. ; Blancafort San Jos茅, Llu铆s
out url icon Recercat The curvature of the conical intersection seam: an approximate second-order analysis Paterson, Martin J. ; Bearpark, Michael J. ; Robb, Michael A. ; Blancafort San Jos茅, Llu铆s
doc icon DUGiDocs 2000 Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Champagne, Beno卯t ; Kirtman, Bernard
out url icon Recercat Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Champagne, Beno卯t ; Kirtman, Bernard
doc icon DUGiDocs 2012 Exercicis Solucionats d鈥橢lucidaci贸 Estructural de Compostos Org脿nics Heras i Corominas, Montserrat ; Feliu Soley, Lidia ; Planas i Grabuleda, Marta ; Pla i Quintana, Anna ; Roglans i Ribas, Anna
doc icon MDX 2005 Exercicis Solucionats d鈥橢lucidaci贸 Estructural de Compostos Org脿nics [versi贸 html] Heras i Corominas, Montserrat ; Feliu Soley, L铆dia ; Planas i Grabuleda, Marta ; Pla i Quintana, Anna ; Roglans i Ribas, Anna
doc icon DUGiDocs 2012 Exercicis Solucionats d鈥橢lucidaci贸 Estructural de Compostos Org脿nics [versi贸 html] Heras i Corominas, Montserrat ; Feliu Soley, L铆dia ; Planas i Grabuleda, Marta ; Pla i Quintana, Anna ; Roglans i Ribas, Anna
out url icon Recercat Exercicis Solucionats d鈥橢lucidaci贸 Estructural de Compostos Org脿nics [versi贸 html] Heras i Corominas, Montserrat ; Feliu Soley, L铆dia ; Planas i Grabuleda, Marta ; Pla i Quintana, Anna ; Roglans i Ribas, Anna
doc icon MDX 2005 Exercicis Solucionats d鈥橢lucidaci贸 Estructural de Compostos Org脿nics [versi贸 pdf] Heras i Corominas, Montserrat ; Feliu Soley, L铆dia ; Planas i Grabuleda, Marta ; Pla i Quintana, Anna ; Roglans i Ribas, Anna
out url icon Recercat Exercicis Solucionats d鈥橢lucidaci贸 Estructural de Compostos Org脿nics [versi贸 pdf] Heras i Corominas, Montserrat ; Feliu Soley, L铆dia ; Planas i Grabuleda, Marta ; Pla i Quintana, Anna ; Roglans i Ribas, Anna
doc icon DUGiDocs 2003 April 28 脥ndexos de localitzaci贸 i deslocalitzaci贸 derivats de la densitat bielectr貌nica: an脿lisi i aplicacions en estructura molecular, reactivitat qu铆mica i aromaticitat Poater i Teixidor, Jordi
out url icon Recercat 脥ndexos de localitzaci贸 i deslocalitzaci贸 derivats de la densitat bielectr貌nica: an脿lisi i aplicacions en estructura molecular, reactivitat qu铆mica i aromaticitat Poater i Teixidor, Jordi
out url icon Recercat Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory Poater i Teixidor, Jordi ; Van Lenthe, Erik ; Baerends, Evert Jan
doc icon DUGiDocs 2003 Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory Poater i Teixidor, Jordi ; Lenthe, Erik van鈥 ; Baerends, Evert Jan
out url icon Recercat 2018 June 1 Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory
out url icon Recercat 2018 June 5 Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory Poater i Teixidor, Jordi ; Lenthe, Erik van鈥 ; Baerends, Evert Jan
out url icon Recercat 2020 February 15 Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory Poater i Teixidor, Jordi ; Lenthe, Erik van鈥 ; Baerends, Evert Jan
doc icon DUGiDocs 2008 Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing Kirtman, Bernard ; Luis Luis, Josep Maria
out url icon Recercat Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing Kirtman, Bernard ; Luis Luis, Josep Maria
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