Quantum chemical calculations, molecular dynamics simulation and experimental studies of using some azo dyes as corrosion inhibitors for iron. Part 1: Mono-azo dye derivatives - ScienceDirect
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Quantum chemical calculations on quantum comp | EurekAlert!
Quantum chemical calculations on NbO and its reaction with methane: ground and excited electronic states - Physical Chemistry Chemical Physics (RSC Publishing)
Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules | Scientific Data
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Condensed concepts: Significant advances in quantum chemical simulations of large systems
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Novel computer-assisted chemical synthesis method cuts research time and cost | Hokkaido University
Quantum chemical calculations predict multicomponent reactions | Nature Synthesis
Extrapolation performance improvement by quantum chemical calculations for machine-learning-based predictions of flow-synthesized binary copolymers - Digital Discovery (RSC Publishing)
Arsenate and Arsenite Reaction Kinetics with Ferric Hydroxides Using Quantum Chemical Calculations | George | Chimica Techno Acta
Quantum Chemical Calculations to Trace Back Reaction Paths for the Prediction of Reactants | JACS Au
Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules | Scientific Data
Condensed concepts: Computational quantum chemistry in a nutshell
Brief Guide to Molecular Mechanics and Quantum Chemical Calculations: Warren J. Hehre et al: 9781890661052: Amazon.com: Books
High-Level Quantum Chemical Calculations of Ozone-Water Complexes
Quantum chemical calculations, spectroscopic properties and molecular docking studies of a novel piperazine derivative - ScienceDirect
Quantum Chemical Calculations - an overview | ScienceDirect Topics
Quantum Chemical Calculations and Machine Learning Predictions Innovate Synthesis for High-Performance Optical Gold Nanorods | Chemistry of Materials
Quantum chemical calculations on the geometrical, conformational, spectroscopic and nonlinear optical parameters of 5-(2-Chloroethyl)-2,4-dichloro-6-methylpyrimidine - ScienceDirect
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Quantum chemistry simulations offers beguiling possibility of 'solving chemistry' | Research | Chemistry World
