pm3 calculations Latest Research Papers

Structures of Complexes of Gossypol with Ferrous Sulfate Based on High‐Performance Liquid Chromatography Separation, Spectroscopic Analysis, and PM3 calculations

ChemistrySelect ◽

10.1002/slct.201803967 ◽

2019 ◽

Vol 4 (19) ◽

pp. 5484-5488

Author(s):

Jian Zhang ◽

Han Ran ◽

Wei Xiong ◽

Tianyi Yang ◽

Yunjun Mei ◽

...

Keyword(s):

High Performance Liquid Chromatography ◽

Liquid Chromatography ◽

Ferrous Sulfate ◽

High Performance ◽

Spectroscopic Analysis ◽

Pm3 Calculations ◽

Liquid Chromatography Separation

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Fourier Transform Infrared Ab Initio And PM3 Calculations For Some Carboxylic Acids

Journal of College of Education for Pure Science ◽

10.32792/utq.jceps.08.03.19 ◽

2018 ◽

Vol 8 (3) ◽

pp. 221-249

Author(s):

Ahmed Jassem

Keyword(s):

Fourier Transform ◽

Ab Initio ◽

Carboxylic Acids ◽

Fourier Transform Infrared ◽

Pm3 Calculations

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QSPR modeling of detonation parameters and sensitivity of some energetic materials: DFT vs. PM3 calculations

Journal of Molecular Modeling ◽

10.1007/s00894-017-3357-1 ◽

2017 ◽

Vol 23 (6) ◽

Cited By ~ 5

Author(s):

Jianying Zhang ◽

Gangling Chen ◽

Xuedong Gong

Keyword(s):

Energetic Materials ◽

Detonation Parameters ◽

Pm3 Calculations ◽

Qspr Modeling

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ChemInform Abstract: MNDO-PM3 Calculations of Activation Energies for the Addition of Chlorinated C1 and C2 Radicals to Chlorinated Ethylenes and Acetylenes.

ChemInform ◽

10.1002/chin.199137052 ◽

2010 ◽

Vol 22 (37) ◽

pp. no-no

Author(s):

Y. SHI ◽

S. M. SENKAN

Keyword(s):

Activation Energies ◽

Chlorinated Ethylenes ◽

Pm3 Calculations

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ChemInform Abstract: Semiempirical AM1 and PM3 Calculations on the Peri-, Site-, and Regiochemistry of Heterocumulene-Heterodiene Cycloadditions.

ChemInform ◽

10.1002/chin.199252060 ◽

2010 ◽

Vol 23 (52) ◽

pp. no-no

Author(s):

W. M. F. FABIAN

Keyword(s):

Pm3 Calculations

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ChemInform Abstract: PM3 Calculations of Diels-Alder Reactions of “Pull-Push” Activated Isoprenes with Aceto- and Acrylonitrile.

ChemInform ◽

10.1002/chin.199508089 ◽

2010 ◽

Vol 26 (8) ◽

pp. no-no

Author(s):

B. S. JURSIC ◽

Z. ZDRAVKOVSKI

Keyword(s):

Diels Alder ◽

Pm3 Calculations

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ChemInform Abstract: Cycloaddition Chemistry of 1,3-Thiazolium-4-olate Systems. Reaction with Nitroalkenes and Interpretation of Results Using PM3 Calculations.

ChemInform ◽

10.1002/chin.199639140 ◽

2010 ◽

Vol 27 (39) ◽

pp. no-no

Author(s):

M. AVALOS ◽

R. BABIANO ◽

A. CABANILLAS ◽

P. CINTAS ◽

F. J. HIGES ◽

...

Keyword(s):

Pm3 Calculations ◽

Interpretation Of Results

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ChemInform Abstract: Conformational and Configurational Behavior of ϰ-Agonistic 3,7-Diazabicyclo[3.3.1]nonan-9-ones - Synthesis, Nuclear Magnetic Resonance Studies, and Semiempirical PM3 Calculations.

ChemInform ◽

10.1002/chin.200002036 ◽

2010 ◽

Vol 31 (2) ◽

pp. no-no

Author(s):

Tom Siener ◽

Ulrike Holzgrabe ◽

Susanne Drosihn ◽

Wolfgang Brandt

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Studies ◽

Pm3 Calculations ◽

Nuclear Magnetic

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ChemInform Abstract: Addition of Phosphoryl Radicals to [76]Fullerene Gives Six Stable Regioisomeric Spin-Adducts: MNDO/PM3 Calculations of Spin Densities

ChemInform ◽

10.1002/chin.200010024 ◽

2010 ◽

Vol 31 (10) ◽

pp. no-no

Author(s):

Oleg G. Kalina ◽

Boris L. Tumanskii ◽

Vasilii V. Bashilov ◽

Anatolii L. Chistyakov ◽

Ivan V. Stankevich ◽

...

Keyword(s):

Pm3 Calculations ◽

Spin Densities

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Quantum chemistry PM3 calculations of sixteen mEGF molecules

The Journal of Atomic and Molecular Sciences ◽

10.4208/jams.010410.012210a ◽

2010 ◽

Vol 1 (1) ◽

pp. 68-77

Author(s):

global Z.W.Wang

Keyword(s):

Quantum Chemistry ◽

Pm3 Calculations

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pm3 calculations
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

Structures of Complexes of Gossypol with Ferrous Sulfate Based on High‐Performance Liquid Chromatography Separation, Spectroscopic Analysis, and PM3 calculations

Fourier Transform Infrared Ab Initio And PM3 Calculations For Some Carboxylic Acids

QSPR modeling of detonation parameters and sensitivity of some energetic materials: DFT vs. PM3 calculations

ChemInform Abstract: MNDO-PM3 Calculations of Activation Energies for the Addition of Chlorinated C1 and C2 Radicals to Chlorinated Ethylenes and Acetylenes.

ChemInform Abstract: Semiempirical AM1 and PM3 Calculations on the Peri-, Site-, and Regiochemistry of Heterocumulene-Heterodiene Cycloadditions.

ChemInform Abstract: PM3 Calculations of Diels-Alder Reactions of “Pull-Push” Activated Isoprenes with Aceto- and Acrylonitrile.

ChemInform Abstract: Cycloaddition Chemistry of 1,3-Thiazolium-4-olate Systems. Reaction with Nitroalkenes and Interpretation of Results Using PM3 Calculations.

ChemInform Abstract: Conformational and Configurational Behavior of ϰ-Agonistic 3,7-Diazabicyclo[3.3.1]nonan-9-ones - Synthesis, Nuclear Magnetic Resonance Studies, and Semiempirical PM3 Calculations.

ChemInform Abstract: Addition of Phosphoryl Radicals to [76]Fullerene Gives Six Stable Regioisomeric Spin-Adducts: MNDO/PM3 Calculations of Spin Densities

Quantum chemistry PM3 calculations of sixteen mEGF molecules

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pm3 calculationsRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Structures of Complexes of Gossypol with Ferrous Sulfate Based on High‐Performance Liquid Chromatography Separation, Spectroscopic Analysis, and PM3 calculations

Fourier Transform Infrared Ab Initio And PM3 Calculations For Some Carboxylic Acids

QSPR modeling of detonation parameters and sensitivity of some energetic materials: DFT vs. PM3 calculations

ChemInform Abstract: MNDO-PM3 Calculations of Activation Energies for the Addition of Chlorinated C1 and C2 Radicals to Chlorinated Ethylenes and Acetylenes.

ChemInform Abstract: Semiempirical AM1 and PM3 Calculations on the Peri-, Site-, and Regiochemistry of Heterocumulene-Heterodiene Cycloadditions.

ChemInform Abstract: PM3 Calculations of Diels-Alder Reactions of “Pull-Push” Activated Isoprenes with Aceto- and Acrylonitrile.

ChemInform Abstract: Cycloaddition Chemistry of 1,3-Thiazolium-4-olate Systems. Reaction with Nitroalkenes and Interpretation of Results Using PM3 Calculations.

ChemInform Abstract: Conformational and Configurational Behavior of ϰ-Agonistic 3,7-Diazabicyclo[3.3.1]nonan-9-ones - Synthesis, Nuclear Magnetic Resonance Studies, and Semiempirical PM3 Calculations.

ChemInform Abstract: Addition of Phosphoryl Radicals to [76]Fullerene Gives Six Stable Regioisomeric Spin-Adducts: MNDO/PM3 Calculations of Spin Densities

Quantum chemistry PM3 calculations of sixteen mEGF molecules

pm3 calculations
Recently Published Documents