
1 - contentextra
... Saturated A compound which contains only single bonds between carbon atoms, no carbon–carbon double or triple bonds. Secondary carbon atom A carbon atom that is attached to the functional group and also to one hydrogen atom. SN1 Substitution nucleophilic unimolecular. A substitution reaction in whic ...
... Saturated A compound which contains only single bonds between carbon atoms, no carbon–carbon double or triple bonds. Secondary carbon atom A carbon atom that is attached to the functional group and also to one hydrogen atom. SN1 Substitution nucleophilic unimolecular. A substitution reaction in whic ...
H - unix.eng.ua.edu
... Question: How do we choose the mathematical functions to construct the trial wave function? The convenient functions are called a “basis set”. If only 1 e- and 1 nucleus – exact solution of Schrödinger eq. possible (see Fig 2.3): 1s, 2s, 2p, 3s, 3p, 3d, etc. These mathematical functions (hydroge ...
... Question: How do we choose the mathematical functions to construct the trial wave function? The convenient functions are called a “basis set”. If only 1 e- and 1 nucleus – exact solution of Schrödinger eq. possible (see Fig 2.3): 1s, 2s, 2p, 3s, 3p, 3d, etc. These mathematical functions (hydroge ...
Combined quantum mechanics/molecular mechanics (QM/MM
... Evaluate the wave function of System 1 in the field of the pointcharges of System 2 and 3 (QC). Evaluate the forces of system1 including the electrostatics of system2 and 3 (QC). Evaluate the forces of system1 and 2 with any electrostatic interactions (MM). Add the QC and MM forces to obtain ...
... Evaluate the wave function of System 1 in the field of the pointcharges of System 2 and 3 (QC). Evaluate the forces of system1 including the electrostatics of system2 and 3 (QC). Evaluate the forces of system1 and 2 with any electrostatic interactions (MM). Add the QC and MM forces to obtain ...
Document
... Which of the following statements is correct? 1) The internal energy of a system increases when more work is done by the system than heat was flowing into the system. 2) The internal energy of a system decreases when work is done on the system and heat is flowing into the system. 3) The system does ...
... Which of the following statements is correct? 1) The internal energy of a system increases when more work is done by the system than heat was flowing into the system. 2) The internal energy of a system decreases when work is done on the system and heat is flowing into the system. 3) The system does ...
PERIODICITY AND ATOMIC STRUCTURE CHAPTER 5
... For the hydrogen atom the sub-levels are degenerate (have the same energy) but for multi electron atoms the electrons interact and the sub-levels have different energies. The orbital type for l = 0 is an s-orbital. The s-orbitals have electron density distributed equally in all directions (spherical ...
... For the hydrogen atom the sub-levels are degenerate (have the same energy) but for multi electron atoms the electrons interact and the sub-levels have different energies. The orbital type for l = 0 is an s-orbital. The s-orbitals have electron density distributed equally in all directions (spherical ...
Organometallic Reactions and Catalysis
... • Organometallic complexes can behave as nucleophiles in displacement reactions (especially negativelycharged complexes). [Co(CO)4]- + RX RCo(CO)4 + XRCo(CO)4 + CO R(C=O)Co(CO)4 (acyl complex) R(C=O)Co(CO)4 +R’OH R(C=O)OR’ + HCo(CO)4 (generates the ester from an alcohol). ...
... • Organometallic complexes can behave as nucleophiles in displacement reactions (especially negativelycharged complexes). [Co(CO)4]- + RX RCo(CO)4 + XRCo(CO)4 + CO R(C=O)Co(CO)4 (acyl complex) R(C=O)Co(CO)4 +R’OH R(C=O)OR’ + HCo(CO)4 (generates the ester from an alcohol). ...
file - Athens Academy
... d. Necessary reactant in chemical reactions – digestion e. Universal Solvent – works for transport of nutrients throughout body ...
... d. Necessary reactant in chemical reactions – digestion e. Universal Solvent – works for transport of nutrients throughout body ...
Enzymes
... The active site places substrates in the correct orientation for the reaction. As the active site binds the substrate, it may put stress on bonds that must be broken, making it easier to reach the transition state. R groups at the active site may create a conducive ...
... The active site places substrates in the correct orientation for the reaction. As the active site binds the substrate, it may put stress on bonds that must be broken, making it easier to reach the transition state. R groups at the active site may create a conducive ...
Electron Configuration
... Where are the electrons? Within each principal energy level, electrons occupy energy sublevels. There are as many sublevels as the number of the energy level (i.e., level 1 has 1 sublevel, level 2 has 2 sublevels, etc.) ...
... Where are the electrons? Within each principal energy level, electrons occupy energy sublevels. There are as many sublevels as the number of the energy level (i.e., level 1 has 1 sublevel, level 2 has 2 sublevels, etc.) ...
Exam 3 Review
... bonds and that all electrons are shared equally. 3. compare to the group number for that atom. If the number is larger the formal charge is negative, smaller the formal charge is positive. ...
... bonds and that all electrons are shared equally. 3. compare to the group number for that atom. If the number is larger the formal charge is negative, smaller the formal charge is positive. ...