Release 2.1 Patrick Lam(BMS) AB INITIO ELECTROSTATIC POTENTIAL SURFACES (HARTREE-FOCK 3-21G* BASIS SETS) AROMATICS I F Cl OH OMe Me TMS SH SO 2 NH 2 SO 2 Me NO 2 NH 2 CF 3 NHCOCH 3 Br I Color codes from -25(red) to +25(blue) kcal/mol using Spartan. (yellow ~ -10; green ~ 0; light blue ~ +10)
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Electrostatic Potential Maps - Scripps Research Institute · release 2.1 patrick lam(bms) ab initio electrostatic potential surfaces (hartree-fock 3-21g* basis sets) aromatics i f
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Release 2.1 Patrick Lam(BMS) AB INITIO ELECTROSTATIC POTENTIAL SURFACES (HARTREE-FOCK 3-21G* BASIS SETS) AROMATICS I
F
Cl
OH
OMe
Me
TMS
SH
SO 2NH2
SO 2Me
NO2
NH2
CF3
NHCOCH 3
Br
I
Color codes from -25(red) to +25(blue) kcal/mol using Spartan. (yellow ~-10; green ~0; light blue ~+10)