Keyword Index

A

  • Ag Nanoparticles Hydrophilicity and antibacterial properties of Ag / TiO2 nanoparticle [Volume 1, Issue 2, 2013, Pages 126-133]
  • Anchoring Director Structures in a Chiral Nematic Slab: Threshold Field and Pitch Variations [Volume 1, Issue 2, 2013, Pages 134-141]

B

  • Benzalkonium Ibuprofenate Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin [Volume 1, Issue 2, 2013, Pages 111-116]

C

  • Chiral Twisted Nematic Director Structures in a Chiral Nematic Slab: Threshold Field and Pitch Variations [Volume 1, Issue 2, 2013, Pages 134-141]
  • Coarsening Quantum dots of CdS synthesized by micro-emulsion under ultrasound: size distribution and growth kinetics [Volume 1, Issue 2, 2013, Pages 166-174]
  • Co-precipitation Kinetic Study of Fischer Tropsch Synthesis over co Precipitated Iron-Cerium Catalyst [Volume 1, Issue 1, 2013, Pages 69-80]
  • Crown ether addition Influence of a Crown Ether on the Spectral Properties of Triarylmethane Dyes in Aqueous and Micellar Environments [Volume 1, Issue 1, 2013, Pages 52-60]
  • Cytotoxicity Heme Releasing from Human Hemoglobin upon Interaction with a New Synthesized Complex of 1,10-Phenanthroline-n-butyl Dithiocarbamato Pd(II) Nitrate [Volume 1, Issue 2, 2013, Pages 185-196]

D

  • Decolorization Influence of a Crown Ether on the Spectral Properties of Triarylmethane Dyes in Aqueous and Micellar Environments [Volume 1, Issue 1, 2013, Pages 52-60]
  • Density functional theory Computational Study on the Energetic and Electronic Aspects of Tautomeric Equilibria in 5-methylthio-1,2,4-triazole [Volume 1, Issue 2, 2013, Pages 175-184]
  • Density functional theory:Half-metals First Principle Study of MC (M= Al, Ga, and In) at Equilibrium and under Negative Stress [Volume 1, Issue 2, 2013, Pages 99-103]
  • DFT Does One-third Scheme of PBE0 Functional Dominate Over PBE0 for Electronic Properties of Transition Metal Compounds? [Volume 1, Issue 2, 2013, Pages 104-110]
  • DFT A theoretical survey on strength and characteristics of F•••F, Br•••O and Br•••Br interactions in solid phase [Volume 1, Issue 2, 2013, Pages 142-151]
  • DFT method Gallium and Arsenic doped on (4, 4) armchair and (8, 0) zigzag models of Boron phosphide nanotubes: NMR study [Volume 1, Issue 1, 2013, Pages 90-98]
  • Docking Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin [Volume 1, Issue 2, 2013, Pages 111-116]
  • Dye-surfactant interactions Influence of a Crown Ether on the Spectral Properties of Triarylmethane Dyes in Aqueous and Micellar Environments [Volume 1, Issue 1, 2013, Pages 52-60]

E

  • Electron gas The Thermodynamic Properties of Polarized Metallic Nanowire in the Presence of Magnetic Field [Volume 1, Issue 1, 2013, Pages 34-40]
  • Electronic band structure First Principle Study of MC (M= Al, Ga, and In) at Equilibrium and under Negative Stress [Volume 1, Issue 2, 2013, Pages 99-103]
  • Electrostatic potential A theoretical survey on strength and characteristics of F•••F, Br•••O and Br•••Br interactions in solid phase [Volume 1, Issue 2, 2013, Pages 142-151]
  • Electrostatic potential (ESP) Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers [Volume 1, Issue 2, 2013, Pages 117-125]

F

  • Fe-Ce catalyst Kinetic Study of Fischer Tropsch Synthesis over co Precipitated Iron-Cerium Catalyst [Volume 1, Issue 1, 2013, Pages 69-80]
  • Fischer-Tropsch synthesis Kinetic Study of Fischer Tropsch Synthesis over co Precipitated Iron-Cerium Catalyst [Volume 1, Issue 1, 2013, Pages 69-80]
  • Fluorescence Heme Releasing from Human Hemoglobin upon Interaction with a New Synthesized Complex of 1,10-Phenanthroline-n-butyl Dithiocarbamato Pd(II) Nitrate [Volume 1, Issue 2, 2013, Pages 185-196]

G

  • GaAs-doped Gallium and Arsenic doped on (4, 4) armchair and (8, 0) zigzag models of Boron phosphide nanotubes: NMR study [Volume 1, Issue 1, 2013, Pages 90-98]
  • Glass Transition Diffusive Dynamicsof Binary Lennard-Jones Liquid in the Presence of Gold Nanoparticle: A Mode Coupling Theory Analysis [Volume 1, Issue 1, 2013, Pages 61-68]

H

  • Halogen bonds A theoretical survey on strength and characteristics of F•••F, Br•••O and Br•••Br interactions in solid phase [Volume 1, Issue 2, 2013, Pages 142-151]
  • Heat Capacity Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration [Volume 1, Issue 2, 2013, Pages 152-165]
  • Heat transfer enhancement Nanofluids for Heat Transfer Enhancement – A Review [Volume 1, Issue 1, 2013, Pages 1-33]
  • Heme degradation Heme Releasing from Human Hemoglobin upon Interaction with a New Synthesized Complex of 1,10-Phenanthroline-n-butyl Dithiocarbamato Pd(II) Nitrate [Volume 1, Issue 2, 2013, Pages 185-196]
  • Hemoglobin Heme Releasing from Human Hemoglobin upon Interaction with a New Synthesized Complex of 1,10-Phenanthroline-n-butyl Dithiocarbamato Pd(II) Nitrate [Volume 1, Issue 2, 2013, Pages 185-196]
  • Human Serum Albumin Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin [Volume 1, Issue 2, 2013, Pages 111-116]
  • Hydrophilicity Hydrophilicity and antibacterial properties of Ag / TiO2 nanoparticle [Volume 1, Issue 2, 2013, Pages 126-133]

I

  • Individual hydrogen bond The effect of some mono and bivalent metal cations on the individual hydrogen bond energies in A−T and G−C base pairs [Volume 1, Issue 1, 2013, Pages 81-89]
  • Intermediate Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration [Volume 1, Issue 2, 2013, Pages 152-165]
  • Intermolecular hydrogen bonding Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers [Volume 1, Issue 2, 2013, Pages 117-125]
  • Intramolecular proton transfer (IPT) Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers [Volume 1, Issue 2, 2013, Pages 117-125]
  • Ionic Liquid Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin [Volume 1, Issue 2, 2013, Pages 111-116]

K

  • Key word: BPNTs Gallium and Arsenic doped on (4, 4) armchair and (8, 0) zigzag models of Boron phosphide nanotubes: NMR study [Volume 1, Issue 1, 2013, Pages 90-98]
  • Kinetic Model Kinetic Study of Fischer Tropsch Synthesis over co Precipitated Iron-Cerium Catalyst [Volume 1, Issue 1, 2013, Pages 69-80]

M

  • Magnetic property First Principle Study of MC (M= Al, Ga, and In) at Equilibrium and under Negative Stress [Volume 1, Issue 2, 2013, Pages 99-103]
  • Metallic nanowire The Thermodynamic Properties of Polarized Metallic Nanowire in the Presence of Magnetic Field [Volume 1, Issue 1, 2013, Pages 34-40]
  • Microemulsion Quantum dots of CdS synthesized by micro-emulsion under ultrasound: size distribution and growth kinetics [Volume 1, Issue 2, 2013, Pages 166-174]
  • Mode coupling theory Diffusive Dynamicsof Binary Lennard-Jones Liquid in the Presence of Gold Nanoparticle: A Mode Coupling Theory Analysis [Volume 1, Issue 1, 2013, Pages 61-68]
  • Molecular Dynamics Simulation Diffusive Dynamicsof Binary Lennard-Jones Liquid in the Presence of Gold Nanoparticle: A Mode Coupling Theory Analysis [Volume 1, Issue 1, 2013, Pages 61-68]
  • Molecular Dynamics Simulation Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin [Volume 1, Issue 2, 2013, Pages 111-116]

N

  • Nanofiller Diffusive Dynamicsof Binary Lennard-Jones Liquid in the Presence of Gold Nanoparticle: A Mode Coupling Theory Analysis [Volume 1, Issue 1, 2013, Pages 61-68]
  • Nanofluids Nanofluids for Heat Transfer Enhancement – A Review [Volume 1, Issue 1, 2013, Pages 1-33]
  • NMR A theoretical survey on strength and characteristics of F•••F, Br•••O and Br•••Br interactions in solid phase [Volume 1, Issue 2, 2013, Pages 142-151]
  • NMR parameters Gallium and Arsenic doped on (4, 4) armchair and (8, 0) zigzag models of Boron phosphide nanotubes: NMR study [Volume 1, Issue 1, 2013, Pages 90-98]
  • Non-hydrogen bonded interaction High-Level Quantum Chemical Calculations of Ozone-Water Complexes [Volume 1, Issue 1, 2013, Pages 41-51]

O

  • O3-H2O complexes High-Level Quantum Chemical Calculations of Ozone-Water Complexes [Volume 1, Issue 1, 2013, Pages 41-51]

P

  • Palladium(II) complex Heme Releasing from Human Hemoglobin upon Interaction with a New Synthesized Complex of 1,10-Phenanthroline-n-butyl Dithiocarbamato Pd(II) Nitrate [Volume 1, Issue 2, 2013, Pages 185-196]
  • Particle size distribution Quantum dots of CdS synthesized by micro-emulsion under ultrasound: size distribution and growth kinetics [Volume 1, Issue 2, 2013, Pages 166-174]
  • PBE0 Does One-third Scheme of PBE0 Functional Dominate Over PBE0 for Electronic Properties of Transition Metal Compounds? [Volume 1, Issue 2, 2013, Pages 104-110]
  • PBE0-1/3 Does One-third Scheme of PBE0 Functional Dominate Over PBE0 for Electronic Properties of Transition Metal Compounds? [Volume 1, Issue 2, 2013, Pages 104-110]
  • Phase transition Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration [Volume 1, Issue 2, 2013, Pages 152-165]
  • Pitch variations Director Structures in a Chiral Nematic Slab: Threshold Field and Pitch Variations [Volume 1, Issue 2, 2013, Pages 134-141]
  • Polarizability Does One-third Scheme of PBE0 Functional Dominate Over PBE0 for Electronic Properties of Transition Metal Compounds? [Volume 1, Issue 2, 2013, Pages 104-110]
  • Polarized continuum model Computational Study on the Energetic and Electronic Aspects of Tautomeric Equilibria in 5-methylthio-1,2,4-triazole [Volume 1, Issue 2, 2013, Pages 175-184]
  • Polyalanine Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration [Volume 1, Issue 2, 2013, Pages 152-165]

Q

  • QTAIM A theoretical survey on strength and characteristics of F•••F, Br•••O and Br•••Br interactions in solid phase [Volume 1, Issue 2, 2013, Pages 142-151]
  • QTAIM analysis Computational Study on the Energetic and Electronic Aspects of Tautomeric Equilibria in 5-methylthio-1,2,4-triazole [Volume 1, Issue 2, 2013, Pages 175-184]
  • Quantum chemical calculations High-Level Quantum Chemical Calculations of Ozone-Water Complexes [Volume 1, Issue 1, 2013, Pages 41-51]
  • Quantum dots Quantum dots of CdS synthesized by micro-emulsion under ultrasound: size distribution and growth kinetics [Volume 1, Issue 2, 2013, Pages 166-174]

R

  • Roughness Hydrophilicity and antibacterial properties of Ag / TiO2 nanoparticle [Volume 1, Issue 2, 2013, Pages 126-133]

S

  • Second quantization The Thermodynamic Properties of Polarized Metallic Nanowire in the Presence of Magnetic Field [Volume 1, Issue 1, 2013, Pages 34-40]
  • Self-affine Hydrophilicity and antibacterial properties of Ag / TiO2 nanoparticle [Volume 1, Issue 2, 2013, Pages 126-133]
  • Spin-polarization The Thermodynamic Properties of Polarized Metallic Nanowire in the Presence of Magnetic Field [Volume 1, Issue 1, 2013, Pages 34-40]

T

  • Tautomeric reaction Computational Study on the Energetic and Electronic Aspects of Tautomeric Equilibria in 5-methylthio-1,2,4-triazole [Volume 1, Issue 2, 2013, Pages 175-184]
  • Tautomerization Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers [Volume 1, Issue 2, 2013, Pages 117-125]
  • Thermal conductivity Nanofluids for Heat Transfer Enhancement – A Review [Volume 1, Issue 1, 2013, Pages 1-33]
  • Thermal stability Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration [Volume 1, Issue 2, 2013, Pages 152-165]
  • Threshold field Director Structures in a Chiral Nematic Slab: Threshold Field and Pitch Variations [Volume 1, Issue 2, 2013, Pages 134-141]
  • Triarylmethane dyes Influence of a Crown Ether on the Spectral Properties of Triarylmethane Dyes in Aqueous and Micellar Environments [Volume 1, Issue 1, 2013, Pages 52-60]
  • Triazoles Computational Study on the Energetic and Electronic Aspects of Tautomeric Equilibria in 5-methylthio-1,2,4-triazole [Volume 1, Issue 2, 2013, Pages 175-184]

U

  • Ultrasound Quantum dots of CdS synthesized by micro-emulsion under ultrasound: size distribution and growth kinetics [Volume 1, Issue 2, 2013, Pages 166-174]

V

  • Viscosity Nanofluids for Heat Transfer Enhancement – A Review [Volume 1, Issue 1, 2013, Pages 1-33]