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Competing intramolecular vs. intermolecular hydrogen bonds in solution.How do hydrophobic nucleobases differ from natural DNA nucleobases? Comparison of structural features and duplex properties from QM calculations and MD simulations.Theoretical in-Solution Conformational/Tautomeric Analyses for Chain Systems with Conjugated Double Bonds Involving Nitrogen(s)Ab initio study of alkylation of guanine-cytosine base pair by sulfur and nitrogen mustards.A ground state morphed intermolecular potential for the hydrogen bonded and van der Waals isomers in OC:HI and a prediction of an anomalous deuterium isotope effect.Structure, energy, vibrational spectrum, and Bader's analysis of π···H hydrogen bonds and H(-δ)···H(+δ) dihydrogen bonds.Unraveling the structure of hydrogen bond stretching mode infrared absorption bands: an anharmonic density functional theory study on 7-azaindole dimers.
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Q38263560-A76FD9C2-2A31-4440-8F8F-D4318AD2E634Q38665654-99D24670-4B5A-4D0C-920B-514E62585528Q41986784-B0F888BB-726D-42AB-9397-2623621DD033Q43241424-A80AD746-CDD0-47AE-8AC6-B8CDB669DC37Q43942195-59692F72-AFAF-4FA1-95A6-6094EC669774Q50239533-D9CD299D-27CA-4365-8EF5-34EC37C33529Q52924372-63781A4A-24BB-462E-BE01-BDD857C354C8
P2860
description
im Januar 2004 veröffentlichter wissenschaftlicher Artikel
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wetenschappelijk artikel
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наукова стаття, опублікована у 2004
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name
2 Theoretical studies of hydrogen bonding
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2 Theoretical studies of hydrogen bonding
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type
label
2 Theoretical studies of hydrogen bonding
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2 Theoretical studies of hydrogen bonding
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prefLabel
2 Theoretical studies of hydrogen bonding
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2 Theoretical studies of hydrogen bonding
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P2860
P356
P1476
2 Theoretical studies of hydrogen bonding
@en
P2860
P356
10.1039/B313660B
P50
P577
2004-01-01T00:00:00Z