research.kimiawan

Recently Added Items

Title Added By Updated On
Geometry and Aromaticity in Highly Strained Heterocyclic Allenes:  Characterization of a 2,3-Didehydro-2H-thiopyran muhamad May 30, 2010 8:48:09 AM
The Elusive Benzocyclobutenylidene:  A Combined Computational and Experimental Attempt muhamad May 30, 2010 8:46:07 AM
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals muhamad May 30, 2010 8:42:25 AM
Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set muhamad May 30, 2010 8:37:14 AM
Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Moller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors muhamad May 30, 2010 8:22:46 AM
Molecular orbital studies of vibrational frequencies muhamad May 30, 2010 8:15:53 AM
Anharmonic force field of acetylene muhamad May 30, 2010 8:06:06 AM
Infrared spectra of H2CO, H213CO, D2CO, and D213CO and anomalous values in vibrational force fields muhamad May 30, 2010 8:04:59 AM
High Level ab Initio Quantum Mechanical Predictions of Infrared Intensities muhamad May 30, 2010 7:49:12 AM
Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models muhamad May 30, 2010 7:47:29 AM

See all 80 items for this group in the Group Library.

HKI Research Collaboration

  • Owner: muhamad
  • Registered: 2010-05-28
  • Type: Public
  • Membership: Closed

Members (1)

muhamad

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