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Alegre-Requena, Juan V.
6
Paton, Robert S.
6
Boyle, Benjamin
3
Ge, Fuchun
3
Hilton, Michael C
3
Luchini, Guilian
3
McNally, Andrew
3
Pinheiro, Max
3
Plasser, Felix
3
Zhang, Xuan
3
Barbatti, Mario
2
Dral, Pavlo O.
2
Ferré, Nicolas
2
Skinn, Brian
2
Weckman, Timo
2
Felix Plasser
1
Fuchun Ge (6550595)
1
Mario Barbatti (9665075)
1
Max Pinheiro (101225)
1
Nicolas Ferré (1299951)
1
Pavlo O. Dral (6981281)
1
Stefan
1
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Computational Chemistry
8
computational chemistry
5
DFT
4
Automation
3
GoodVibes
3
Quantum Chemistry
3
Thermochemistry
3
Thermodynamics
3
gaussian
3
ligand coupling
3
mechanism
3
orca
3
quasi-RRHO
3
quasi-harmonic
3
Analytical Hessian
2
Chemical sciences
2
FOS Chemical sciences
2
Kemi
2
Kemia
2
Normal Modes
2
Numerical Hessian
2
ORCA
2
Vibrational Frequencies
2
density functional theory
2
solvation free energy
2
thermodynamics
2
Density Functional Theory calculations
1
Electronic Structure
1
Excited Electronic State
1
Potential energy surface scan
1
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