JIK 317 - QUANTUM CHEMISTRY AND GROUP THEORY APRIL 09. by PPJJ, Pusat Pengajian Jarak Jauh

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JIK317 - QUANTUM CHEMISTRY AND GROUP THEORY JUN 2009 by PPJJ, Pusat Pengajian Jarak Jauh

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Pendekatan Komputer Peribadi Terhadap Pengiraan Jumlah Tenaga Keadaan Dasar Bagi Atom dan Molekul Ringkas by Abdul Rahman, Mohd Fitri

Subjects: “…Quantum chemistry - Computer programs…”
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A note on reformed ladder operators for noncommutative morse oscillator by Mohd Shah, Nurisya, A. H., Nadhira, Chan, K. T.

“…Morse oscillator is one of the known solvable potentials which attracts many applications in quantum mechanics especially in quantum chemistry. One of the interesting results of this study is the generation of ladder operators for Morse potential. …”
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Morse potential in noncommutative quantum mechanics framework by A. H., Nadhira, Mohd Shah, Nurisya, Chan, Kar Tim

“…Morse potential is one of the well-known exact solvable potentials which attracts many applications in quantum mechanics especially in quantum chemistry. Unlike harmonic potential, Morse potential describes more accurate results on the interaction of diatomic molecules. …”
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Topology of electron density of cadmium telluride determined from relief and contour plots by Othman, A.P., Gopir, G.A.

“…In quantum mechanics and in particular quantum chemistry, the electron density is a measure of the probability of an electron occupying an infinitesimal element of space surrounding any given point. …”
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MOLECULAR INTERACTION BETWEEN BENZONITRILEAND HEXAMETHYLPHOSPHORIC TRIAMIDEBY 13CNMR T1RELAXATIONTIME STUDIES ANDAS INITIOQM CALCULATIONS: EXTENDED INVESTIGATION by Perpustakaan UGM, i-lib

“…From computational quantum calculations of non-covalent intermolecular interactions and Mie potential analysis, the solute-solventmolecularpairs in bn.. .HMPThave almost equal interaction energies for the ortho, meta, and para configuration and the layered configurations are energeticallypermitted Keywords: 13CT1spin-lattice relaxation times, ab initio quantum chemistry calculations, intermolecular interactions, isotropic and anisotropic rotational motion…”

Computational outlook on the ribosome as an entropy trap by Monajemi, H., Wan Abdullah, W.A.T., Zain, Sharifuddin Md

“…In this study, we employ ab initio quantum chemistry methods to calculate the transition structure of the peptide bond formation in the absence of ribosomal bases. …”

Modeling Of Alkyl Salicylate Compounds As Uv Absorber Based On Electronic Transition By Using Semiempirical Quantum Mechanics Zindo/s Calculation = Pemodelan Senyawa Alkil Salisila... by Perpustakaan UGM, i-lib

“…All of the computation have been performed using quantum chemistry - package software Hyperchem 6.0. The research covered about drawing each of the structure, geometry optimization using semiempirical AM1 algorithm and followed with single point calculation using semiempirical ZINDO/s technique. …”

Solubility of CO2 in aqueous 2‑amino‑1, 3‑propanediol (Serinol) at elevated pressures by Abdul Samat, Nurul Fatin Nabilah, Yusoff, Rozita, Aroua, Mohamed Kheireddine, Ramalingam, Anantharaj, Kassim, Mohd Azlan

“…This was done using COSMO-RS approach based on quantum chemistry calculations. Based on this approach, serinol showed good affinity towards hydrogen–bond donors which proved to be beneficial in developing intermolecular interaction between serinol and CO2. …”