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1
Electronic Structure Modeling - Connections Between Theory and Software
Crc Press
C. Trindle
,
D. Shillady
modeling
connections
trindle
compositor
orbitals
matrix
electron
phys
density
function
functions
orbital
method
energies
correlation
gaussian
scf
calculation
methods
values
atom
wave
dft
vamoudavally
a.u
electrons
integrals
alpha
bond
symmetry
quantum
pclobe
bmani
molecular
calculations
hartree
msubramanian
shielding
total
defined
dipole
formaldehyde
figure
magnetic
molecules
fock
systems
equation
mol
transition
Year:
2008
Language:
english
File:
PDF, 4.10 MB
Your tags:
0
/
0
english, 2008
2
Essentials of Physical Chemistry
CRC Press
Shillady
,
Don
chemistry
figure
equation
orbitals
electron
mol
temperature
function
molecules
atom
quantum
essentials
values
first
find
wave
orbital
reaction
electrons
molecular
matrix
molecule
formula
functions
calculate
atoms
volume
chemical
spin
consider
physics
units
method
thermodynamics
vibrational
equations
solution
bohr
spectroscopy
spectrum
nuclear
product
mass
rate
zero
ffi
shown
average
bond
linear
Year:
2011
Language:
english
File:
PDF, 5.56 MB
Your tags:
0
/
0
english, 2011
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