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Are The Unconventional Density Variations Really Unconventional?. Int. J. Quantum Chem. 2009, 109, 3199-3216.
Orientational Order Of Near D-3H Solutes In Nematic Liquid Crystals. Journal of Chemical Physics 2009, 130, 11.
Orientational Order Of Near D-3H Solutes In Nematic Liquid Crystals. Ii. Description Via Gay-Berne Model With Embedded Quadrupoles. Journal of Chemical Physics 2009, 130, 6.
Hydrophobic Interactions In Urea - Trimethylamine-N-Oxide Solutions. Journal of Physical Chemistry B 2008, 112, 11106-11111.
Investigation Of Substituted-Benzene Dopants For Charge Exchange Ionization Of Nonpolar Compounds By Atmospheric Pressure Photoionization. Journal of the American Society for Mass Spectrometry 2008, 19, 955-963.
Density Functional Theory Calculation Of 2P Core-Electron Binding Energies Of Si, P, S, Cl, And Ar In Gas-Phase Molecules. Journal of Electron Spectroscopy and Related Phenomena 2006, 151, 9-13.
N-N Splitting Of A Functionalized Mu-Eta(1):eta(2) Coordinated N-2 Ligand Leading To A Mu-Nitrido Mu-Imido Core: Mechanistic Insight From Dft. Dalton Transactions 2006, 1137-1140.
Prediction Of Spectroscopic Constants For Diatomic Molecules In The Ground And Excited States Using Time-Dependent Density Functional Theory. Journal of Computational Chemistry 2006, 27, 163-173.
Side-On Bridging Coordination Of N-2: Spectroscopic Characterization Of The Planar Zr2N2 Core And Theoretical Investigation Of Its Butterfly Distortion. Chemistry-a European Journal 2003, 9, 520-530.
Synthesis Of The Hemin Of Beta-Tetrakis(Trifluoromethyl)-Meso-Tetraphenylporphyrin And Its Evaluation As A P-450 Mimic. Inorganica Chimica Acta 2003, 346, 261-264.
Computational Study Of Vertical Ionization Potentials Using Density Functional Theory And Green’S Function Methods. Journal of the Chinese Chemical Society 2000, 47, 141-147.
Density Functional Calculations Of Core-Electron Binding Energies Of Amines. Application To (Ch3)(3)N-Ni And (Ch3)(4)N+-Ni. Chemical Physics Letters 1997, 264, 186-192.
Dipole-Induced Ordering In Nematic Liquid Crystals Fact Or Fiction?. Chemical Physics Letters 1997, 281, 199-206.
Monte Carlo Simulations Of Solute Ordering In Nematic Liquid Crystals: Shape Anisotropy And Quadrupole-Quadrupole Interactions As Orienting Mechanisms. Physical Review E 1997, 55, 4321-4337.
The Quadrature Discretization Method (Qdm) In The Calculation Of The Rotational-Vibrational Transitions In Rare Gas Dimers. Theochem-Journal of Molecular Structure 1997, 391, 131-139.
Monte Carlo Simulations Of Orientational Ordering Of Solutes In A Nematic Solvent: Comparison With Mean-Field Models. Molecular Physics 1996, 88, 767-782.
The Quadrature Discretization Method (Qdm) In The Solution Of The Schrodinger Equation With Nonclassical Basis Functions. Journal of Chemical Physics 1996, 104, 4137-4150.
An Orientational Study Of Small Solutes In Zero Electric-Field Gradient Nematic Liquid-Crystal Mixtures. Journal of Physical Chemistry 1995, 99, 7054-7059.
Rotational Spectra Of The Mixed Rare-Gas Dimers Ne-Kr And Ar-Kr. Journal of Chemical Physics 1995, 103, 2827-2833.
The Equilibrium Pair Distribution Function Of A Gas - Aspects Associated With The Presence Of Bound-States. Journal of Chemical Physics 1993, 99, 9111-9121.