1) What does the term computational chemistry mean? a) The study of chemical reactions in a laboratory setting b) The use of computer-based techniques to investigate chemical phenomena c) The analysis of chemical compounds using spectroscopy d) The synthesis of new molecules in a computational environment 2) What kinds of questions can computational chemistry answer? a) Only questions related to molecular dynamics b) Only questions related to chemical reactions c) Questions related to molecular geometry, energies, chemical reactivity, and more d) Questions related to geological processes 3) Generally speaking, which is the fastest computational chemistry method (tool), and which is the slowest? a) Fastest: Ab Initio, Slowest: Molecular Mechanics b) Fastest: Semiempirical Calculations, Slowest: Ab Initio c) Fastest: Molecular Dynamics, Slowest: Semiempirical Calculations d) Fastest: Molecular Mechanics, Slowest: Density Functional Theory (DFT) 4) Why is computational chemistry useful in industry? a) It enables cost-effective exploration of chemical space and understanding of molecular interactions b) It reduces the need for experimental validation of chemical reactions c) It allows for the synthesis of new molecules in a laboratory setting d) It replaces the need for experimental testing of drug candidates 5) Basically, what does the Schrodinger equation describe, from the chemist’s viewpoint? a) How molecules interact with each other b) The kinetics of chemical reactions c) The thermodynamics of chemical processes d) The behavior of electrons within molecules 6) What is the limit to the kind of molecule for which we can get an exact solution to the Schrodinger equation? a) Molecules with only one electron b) Molecules with two or more electrons c) Molecules with complex structures d) Molecules with symmetrical geometry 7) What is parameterization? a) The process of adjusting computational parameters to fit experimental data b) The process of synthesizing new molecules in a computational environment c) The process of optimizing molecular geometry using computational methods d) The process of studying molecular dynamics using computer simulations 8) What advantages does computational chemistry have over “wet chemistry”? a) Complexity, accuracy, and reliability b) Precision, reproducibility, and versatility c) Speed, cost-effectiveness, and safety d) Environmental friendliness, scalability, and ease of use 9) Why can’t computational chemistry replace “wet chemistry” a) It lacks precision and reproducibility b) It relies on models and may not capture all real-world complexities c) It cannot simulate chemical reactions accurately d) It is more expensive and time-consuming

Computational chemistry

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