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januszc's file-import-08-08-01 [15 articles]

Recent papers added to januszc's library classified by the tag file-import-08-08-01. You can also see everyone's file-import-08-08-01.
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  • Relativistic Computation of NMR Shielding and Spin-spin Coupling Constants
    Vol. 9 (2002), pp. 306-323.
    by J Autschbach, T Ziegler
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:31 as **
  • Aces II Mainz-Austin-Budapest version
    by JF Stanton, J Gauss, JD Watts, PG Szalay, RJ Bartlett, with contributions from A. A. Auer, DB Bernholdt, O Christiansen, ME Harding, M Heckert, O Heun, C Huber, D Jonsson, J Jusélius, WJ Lauderdale, T Metzroth, C Michauk, DR Price, K Ruud, F Schiffmann, A Tajti, ME Varner, J Vázquez
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:30 as **
  • Dalton, a molecular electronic structure program, Release 2.0 (2005), see http://www.kjemi.uio.no/software/dalton/dalton.html
    by C Angeli, KL Bak, V Bakken, O Christiansen, R Cimiraglia, S Coriani, P Dahle, EK Dalskov, T Enevoldsen, B Fernandez, C Hättig, K Hald, A Halkier, H Heiberg, T Helgaker, H Hettema, aa, D Jonsson, P Jorgensen, S Kirpekar, W Klopper, R Kobayashi, H Koch, A Ligabue, OB Lutn\aes, KV Mikkelsen, P Norman, J Olsen, MJ Packer, TB Pedersen, Z Rinkevicius, E Rudberg, TA Ruden, K Ruud, P Salek, Sanchez A de Meras, T Saue, SPA Sauer, B Schimmelpfennig, Sylvester KO Hvid, PR Taylor, O Vahtras, DJ Wilson, H \aagren,
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:29 as **
  • Dirac, a relativistic ab initio electronic structure program, Release DIRAC04.0 (2004)
    by aa, T Saue, L Visscher, with contributions from V. Bakken, E Eliav, T Enevoldsen, T Fleig, O Fossgaard, T Helgaker, J Laerdahl, CV Larsen, P Norman, J Olsen, M Pernpointner, JK Pedersen, K Ruud, P Salek, van JNP Stralen, J Thyssen, O Visser, T Winther
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:29 as **
  • Theory and computation of nuclear magnetic resonance parameters
    Phys. Chem. Chem. Phys., Vol. 9, No. 40. (2007), pp. 5399-5418.
    by J Vaara
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:29 as **
  • Gaussian 98
    (2001)
    by MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, VG Zakrzewski, montgomery, RE Stratmann, JC Burant, S Dapprich, JM Millam, AD Daniels, KN Kudin, MC Strain, O Farkas, J Tomasi, V Barone, M Cossi, R Cammi, B Mennucci, C Pomelli, C Adamo, S Clifford, J Ochterski, GA Petersson, PY Ayala, Q Cui, K Morokuma, P Salvador, JJ Dannenberg, DK Malick, AD Rabuck, K Raghavachari, JB Foresman, J Cioslowski, JV Ortiz, AG Baboul, BB Stefanov, G Liu, A Liashenko, P Piskorz, I Komaromi, R Gomperts, RL Martin, Foxt, Al MA Laham, CY Peng, A Nanayakkara, M Challacombe, PMW Gill, B Johnson, W Chen, MW Wong, JL Andres, C Gonzalez, Head M Gordon, ES Replogle, JA Pople
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:27 as **
  • SAPT2002: an \ ab initio program for many--body symmetry--adapted perturbation theory calculations of intermolecular interaction energies. Sequential and parallel versions
    (2003)
    by R Bukowski, W Cenek, P Jankowski, B Jeziorski, M Jeziorska, SA Kucharski, AJ Misquitta, R Moszyński, K Patkowski, S Rybak, K Szalewicz, HL Williams, PES Wormer
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:27 as **
  • Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes
    Chem. Rev., Vol. 94 (1994), pp. 1887-1930.
    by B Jeziorski, R Moszyński, K Szalewicz
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:27 as **
  • SAPT: A Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies
    Vol. B (1993), pp. 79-129.
    by B Jeziorski, R Moszyński, A Ratkiewicz, S Rybak, K Szalewicz, HL Williams
    edited by E Clementi
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:27 as **
  • The importance of many-body forces in clusters and condensed phase
    (2005), pp. 919-962.
    by K Szalewicz, R Bukowski, B Jeziorski
    edited by CE Dykstra, G Frenking, KS Kim, GE Scuseria
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:27 as **
  • Advances in electronic structure theory: GAMESS a decade later
    (2005), pp. 1167-1189.
    by MS Gordon, MW Schmidt
    edited by CE Dykstra, G Frenking, KS Kim, GE Scuseria
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:27 as **
  • General Atomic and Molecular Electronic Structure System
    J. Comput. Chem., Vol. 14 (1993), pp. 1347-1363.
    by MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JJ Jensen, S Koseki, N Matsunaga, KA Nguyen, S Su, TL Windus, M Dupuis, JA Montgomery
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:26 as **
  • A More Stable Configuration of HArF in Solid Argon
    J. Am. Chem. Soc., Vol. 123 (2001), pp. 8610-8611.
    by L Khriachtchev, M Pettersson, A Lignell, M Rasanen
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:25 as **
  • Gaussian 98
    Vol. Revision A.1 (1998)
    by MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, VG Zakrzewski, JA Montgomery, RE Stratmann, JC Burant, S Dapprich, JM Millam, AD Daniels, KN Kudin, MC Strain, O Farkas, J Tomasi, V Barone, M Cossi, R Cammi, B Mennucci, C Pomelli, C Adamo, S Clifford, J Ochterski, GA Petersson, PY Ayala, Q Cui, K Morokuma, DK Malick, AD Rabuck, K Raghavachari, JB Foresman, J Cioslowski, JV Ortiz, BB Stefanov, G Liu, A Liashenko, P Piskorz, I Komaromi, R Gomperts, RL Martin, DJ Fox, T Keith, Al MA Laham, CY Peng, AA Nanayakkara, C Gonzalez, M Challacombe, PMW Gill, BG Johnson, W Chen, MW Wong, JL Andres, Head M Gordon, ES Replogle, JA Pople
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:25 as **
  • Blue shifting and red shifting hydrogen bonds: A study of the HArF···N[sub 2] and HArF$⋅s$P$_2$ complexes
    J. Chem. Phys., Vol. 118 (2003)
    by SAC Mcdowell
    posted to file-import-08-08-01 by januszc on 2008-08-01 11:05:25 as **
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