Correlating the vibrational spectra of structurally related molecules: A spectroscopic measure of similarity.

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Correlating the vibrational spectra of structurally related molecules: A spectroscopic measure of similarity.

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2017 nî lūn-bûn

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2017年学术文章

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Correlating the vibrational sp ...... oscopic measure of similarity.

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Correlating the vibrational sp ...... oscopic measure of similarity.

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Correlating the vibrational sp ...... oscopic measure of similarity.

@en

Correlating the vibrational sp ...... oscopic measure of similarity.

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Correlating the vibrational sp ...... oscopic measure of similarity.

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Correlating the vibrational sp ...... oscopic measure of similarity.

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P1476

Correlating the vibrational sp ...... roscopic measure of similarity

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P2093

Dieter Cremer

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Wenli Zou

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Yunwen Tao

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P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional thermochemistry. III. The role of exact exchange

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules

Identification of the Strongest Bonds in Chemistry

Steric effects of phosphorus ligands in organometallic chemistry and homogeneous catalysis

Relating normal vibrational modes to local vibrational modes with the help of an adiabatic connection scheme.

Extreme electric fields power catalysis in the active site of ketosteroid isomerase

P304

293-306

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P31

scholarly article

P356

10.1002/JCC.25109

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P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

Elfi Kraka

P577

2017-11-16T00:00:00Z

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P698

29143968

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