molecular orbital - Globe Thesis

Keyword [molecular orbital] Result: 41 - 60 \| Page: 3 of 4
41.	Theoretical Insight Into The Dye-sensitized Structural Modifications And Electron Transfer Mechanism In DSSCs
42.	The Exploration Of The Interactions Between Atoms In The Molecules By Molecular Face Theory And Ab Initio Method
43.	Theoretical Studies For Six-Membered N-Heterocyclic Radicals Of Havier Group 14 Elements
44.	Study On Molecular Orbital Energy And Its Properties Of Flexible,Colorless And Transparent Polyimide Film Materials
45.	DFT Calculation On The Complexes Containing Ru-Ru Bonds With ESBO And FSBO Symmetry
46.	Potential energy surfaces for intermolecular proton transfers in crystalline aspirin: A computational study
47.	A needed response: Fragment molecular orbital analytic gradients
48.	The application of molecular orbital calculations to fundamental concepts in strong field chemistry and zinc oxide chemical vapor deposition
49.	Semi-empirical molecular orbital methods and ab initio calculations in dye chemistry: Computational studies towards the design and synthesis of organic pigments
50.	Frontier molecular orbital interactions between intercalating quinoline alkaloids and DNA base pairs: An ab initio investigation
51.	Looking at chemistry through the unifying lens of molecular orbital theory: From extended hypervalent bonding to hydrocarbon chemisorption and the reactivity of organic molecules
52.	Total energy and molecular orbital analysis of organometallic compounds using the Fenske-Hall molecular orbital method
53.	Oxidation and reduction of carbon monoxide and methane carbon-hydrogen bond activation: Molecular orbital theory
54.	Conformational preferences and reaction mechanisms in organometallic systems. A molecular orbital study
55.	Molecular orbital, generalized valence bond, and complete active space calculations on transition metal compounds with agostic hydrogen and bridging carbonyls: New basis sets, geometry of trichloromethyltitanium, and bonding of bis(cyclopentadienyldicarbo
56.	Molecular orbital studies of organometallic and inorganic compounds
57.	TRANSITION METAL MACROCYCLES AS CATALYSTS FOR THE ELECTROCHEMICAL REDUCTION OF OXYGEN-2 (CALCULATION, PHTHALOCYANINE, MOLECULAR ORBITAL THEORY, IN-SITU, MOESSBAUER)
58.	FINITE-PERTURBATION INTERMEDIATE - NEGLECT - OF - DIFFERENTIAL - OVERLAP MOLECULAR ORBITAL CALCULATIONS OF NUCLEAR MAGNETIC RESONANCE SPIN-SPIN COUPLING CONSTANTS FOR POLYCYCLIC AROMATIC HYDROCARBONS AND AROMATIC NITROGEN HETEROCYCLICS (FERMI CONTACT, QU
59.	Inheritance of molecular orbital energies from monomer building blocks to larger copolymers in organic semiconductor
60.	PHOTOELECTRON SPECTRA AND MOLECULAR ORBITAL CALCULATIONS OF TRICOBALT ALKYLIDYNE AND TRI-COBALT, IRON, RUTHENIUM, AND OSMIUM SULFIDE NONACARBONYL AND TRIOSMIUM DECACARBONYL CLUSTERS
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