Register | Log in | FAQ      [?] 
Recent | Unread | Search | Authors | Tags | Export

TheMatt's library [11 articles]

Recent papers added to TheMatt's library ordered by importance.
  • Accuracy and efficiency of atomic basis set methods versus plane wave calculations with ultrasoft pseudopotentials for DNA base molecules
    Journal of Computational Chemistry, Vol. 26, No. 6. (28 February 2005), pp. 599-605.
    by Peter Pulay, Svein Saebo, Massimo Malagoli, Jon Baker
    posted to atomic base basis calculations dna methods molecules plane-wave pseudopotentials set ultrasoft by TheMatt on 2005-03-04 21:30:31 as ****
  • Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac-Hartree-Fock data
    Chemical Physics, Vol. 311, No. 1-2. (25 April 2005), pp. 227-244.
    by Detlev Figgen, Guntram Rauhut, Michael Dolg, Hermann Stoll
    posted to coinage ecp spin-orbit stoll by TheMatt on 2005-02-25 21:51:56 as ***
  • Sixth-order Douglas-Kroll: two-component reference data for one-electron ions from through
    Chemical Physics, Vol. 311, No. 1-2. (25 April 2005), pp. 105-112.
    by Christoph van Wullen
    posted to dk6 douglas-kroll hydrogen-like two-component by TheMatt on 2005-02-25 21:49:27 as ***
  • Spin-orbit effects for the diatomic molecules containing halogen elements studied with relativistic effective core potentials: HX, X2 (X = Cl, Br and I) and IZ (Z = F, Cl and Br) molecules
    Chemical Physics, Vol. 311, No. 1-2. (25 April 2005), pp. 121-127.
    by Hyo S Lee, Woo K Cho, Yoon J Choi, Yoon S Lee
    posted to recp ecp electronic halogen spin-orbit structure by TheMatt on 2005-02-25 21:48:23 as ***
  • Even tempered basis sets for four-component relativistic quantum chemistry
    Chemical Physics, Vol. 311, No. 1-2. (25 April 2005), pp. 25-34.
    by Knut F[ae]gri
    posted to chemistry even four-component quantum relativisitic tempered by TheMatt on 2005-02-25 21:39:43 as ***
  • Fitting complex potential energy surfaces to simple model potentials: Application of the simplex-annealing method
    Journal of Computational Chemistry, Vol. 26, No. 6. (23 February 2005), pp. 523-531.
    by RAB Raúl, Eduardo A Coronado, Juan C Ferrero
    posted to annealing complex dimer fitting forms functional intermolecular optimization pes potential potentials simple simplex simplex-annealing simulated water by TheMatt on 2005-03-04 21:26:57 as ** along with 1 person and 1 group mkowa Femtochemistry_LMU
  • Femtochemistry of Inter- and Intramolecular Hydrogen Bonds
    ChemPhysChem, Vol. 6, No. 3. (18 February 2005), pp. 419-423.
    by Abderrazzak Douhal, Prof, Mikel Sanz, Dr, Laura Tormo, Dr, Juan A Organero, Dr
    posted to bonds effects femtochemistry fluorescence hydrogen proton solvent transfer by TheMatt on 2005-03-04 21:25:56 as **
  • A program to compute exact hydrogenic radial integrals, oscillator strengths, and Einstein coefficients, for principal quantum numbers up to n[approximate]1000
    Computer Physics Communications, Vol. 166, No. 3. (15 March 2005), pp. 191-196.
    by D Hoang-Binh
    posted to compute hydrogenic numbers quantum by TheMatt on 2005-03-01 00:05:43 as **
  • An ab initio study of the electronic spectrum of Zn2 including spin-orbit coupling
    Chemical Physics, Vol. 311, No. 1-2. (25 April 2005), pp. 35-44.
    by K Ellingsen, T Saue, C Pouchan, O Gropen
    posted to caspt2 electronic spin-orbit structure by TheMatt on 2005-02-25 21:41:21 as **
  • Simultaneous State Measurement of Coupled Josephson Phase Qubits
    Science, Vol. 307, No. 5713. (25 February 2005), pp. 1299-1302.
    by R Mcdermott, R Simmonds, Matthias Steffen, K Cooper, K Cicak, K Osborn, Seongshik Oh, D Pappas, John M Martinis
    posted to computing nist quantum by TheMatt on 2005-02-25 21:22:20 as ** along with 1 person and 1 group karlberggren quantum
  • The 6-31B(d) Basis Set and the BMC-QCISD and BMC-CCSD Multicoefficient Correlation Methods
    posted to electronic g3 structure by TheMatt on 2005-02-25 21:20:56 as **
    • Note: You may cite this page as: http://www.citeulike.org/user/TheMatt/order/to_read

    RIS BibTeX
    CiteULike organises scholarly (or academic) papers or literature and provides bibliographic (which means it makes bibliographies) for universities and higher education establishments. It helps undergraduates and postgraduates. People studying for PhDs or in postdoctoral (postdoc) positions. The service is similar in scope to EndNote or RefWorks or any other reference manager like BibTeX, but it is a social bookmarking service for scientists and humanities researchers.