(Q58445832)

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MP2 and CCSD(T) study on hydrogen bonding, aromatic stacking and nonaromatic stacking

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MP2 and CCSD(T) study on hydrogen bonding, aromatic stacking and nonaromatic stacking (English)

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P. Hobza

2

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author name string

J. Šponer

series ordinal

1

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publication date

March 1997

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published in

Chemical Physics Letters

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volume

267

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issue

3-4

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page(s)

263-270

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cites work

An optimized potential function for the calculation of nucleic acid interaction energies I. base stacking

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7 January 2021

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An ab initio molecular orbital study on the sequence-dependency of DNA conformation: An evaluation of intra- and inter-strand stacking interaction energy

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7 January 2021

Theoretical Analysis of the Base Stacking in DNA: Choice of the Force Field and a Comparison with the Oligonucleotide Crystal Structures

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B-DNA twisting correlates with base-pair morphology.

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Finding and visualizing nucleic acid base stacking.

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Experimental studies of molecular interactions between nitrogen bases of nucleic acids

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Thermodynamic characteristics for the formation of H-bonded DNA base pairs

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G.C base pair in parallel-stranded DNA--a novel type of base pairing: an ab initio quantum chemical study

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7 January 2021

H-Bonded and Stacked DNA Base Pairs: Cytosine Dimer. An Ab Initio Second-Order Moeller-Plesset Study

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7 January 2021

Structures and Energies of Hydrogen-Bonded DNA Base Pairs. A Nonempirical Study with Inclusion of Electron Correlation

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7 January 2021

Base stacking and hydrogen bonding in protonated cytosine dimer: the role of molecular ion-dipole and induction interactions.

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7 January 2021

Nature of Nucleic Acid−Base Stacking: Nonempirical ab Initio and Empirical Potential Characterization of 10 Stacked Base Dimers. Comparison of Stacked and H-Bonded Base Pairs

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Ability of empirical potentials (AMBER, CHARMM, CVFF, OPLS, Poltev) and semi-empirical quantum chemical methods (AM1, MNDO/M, PM3) to describe H-bonding in DNA base pairs; comparison with ab initio results

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7 January 2021

Structure and Properties of Benzene-Containing Molecular Clusters: Nonempirical ab Initio Calculations and Experiments

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7 January 2021

Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study

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Potential Energy Surface for the Benzene Dimer. Results ofab InitioCCSD(T) Calculations Show Two Nearly Isoenergetic Structures: T-Shaped and Parallel-Displaced

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7 January 2021

Toward an Understanding of the Drug−DNA Recognition Mechanism. Hydrogen-Bond Strength in Netropsin−DNA Complexes

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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

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7 January 2021

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10.1016/S0009-2614(97)00118-8

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(Q58445832)

MP2 and CCSD(T) study on hydrogen bonding, aromatic stacking and nonaromatic stacking

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