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DFT:B3LYP ab initio molecular dynamics study of the Zundel and Eigen proton complexes, H5O2+ and H9O4+, in the triplet state in gas phase and solution

The Journal of chemical physics, 2004-01, Vol.120 (3), p.1217-1222

Tulub, Alexander A

2004

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Molecular dynamics DFT:B3LYP study of guanosinetriphosphate conversion into guanosinemonophosphate upon Mg2+ chelation of α and β phosphate oxygens of the triphosphate tail

Physical chemistry chemical physics : PCCP, 2006-05, Vol.8 (18), p.2187-2192

TULUB, Alexander A

2006

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Activation of tubulin assembly into microtubules upon a series of repeated femtosecond laser impulses

The Journal of chemical physics, 2004-12, Vol.121 (22), p.11345-11350

2004

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Ionization and fragmentation of freon-12 molecules in collisions with protons

Journal of physics. B, Atomic, molecular, and optical physics, 2003-05, Vol.36 (10), p.1991-2000

2003

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Comparison of zinc and magnesium clusters in their reaction with organochlorides: Toward a molecular picture of grignard reagent formation

International journal of quantum chemistry, 2012-09, Vol.112 (18), p.3002-3007

2012

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Migration of protons in a chain of tyrosine residues

International journal of quantum chemistry, 2001, Vol.84 (4), p.409-415

2001

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Electronic structure of cations X ?OH2+ (X?C,N,O)

International journal of quantum chemistry, 2000-03, Vol.77 (2), p.580-588

2000

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Triplet–singlet spin communication between DNA nucleotides serves the basis for quantum computing

Chemical physics letters, 2007-02, Vol.436 (1), p.258-262

2007

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Quantum field lability indexes of ligands for predicting some properties of platinum complexes

International journal of quantum chemistry, 1997, Vol.65 (1), p.49-57

1997

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Generalized effective-core-potential method: Potentials for the atoms Xe, Pd, and Ag

Physical review. A, Atomic, molecular, and optical physics, 1994-09, Vol.50 (3), p.2239-2247

1994

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DFT:B3LYP ab initio molecular dynamics study of the Zundel and Eigen proton complexes, H5O2+ and H9O4+, in the triplet state in gas phase and solution

Molecular dynamics DFT:B3LYP study of guanosinetriphosphate conversion into guanosinemonophosphate upon Mg2+ chelation of α and β phosphate oxygens of the triphosphate tail

Activation of tubulin assembly into microtubules upon a series of repeated femtosecond laser impulses

Ionization and fragmentation of freon-12 molecules in collisions with protons

Comparison of zinc and magnesium clusters in their reaction with organochlorides: Toward a molecular picture of grignard reagent formation

Migration of protons in a chain of tyrosine residues

Electronic structure of cations X ?OH2+ (X?C,N,O)

Triplet–singlet spin communication between DNA nucleotides serves the basis for quantum computing

Quantum field lability indexes of ligands for predicting some properties of platinum complexes

Generalized effective-core-potential method: Potentials for the atoms Xe, Pd, and Ag

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