| 1 |
33876088 | Conformational energies and equilibria of cyclic dinucleotides in vacuo and in solution: computational chemistry vs. NMR experiments. | 2021 Mar 28 |
1 |
| 2 |
33885298 | Experimental Evidence of syn H-N-Fe-H Configurational Requirement for Iron-Based Bifunctional Hydrogenation Catalysts. | 2021 May 3 |
2 |
| 3 |
34168827 | A dynamic picture of the halolactonization reaction through a combination of ab initio metadynamics and experimental investigations. | 2021 Apr 26 |
1 |
| 4 |
34257857 | Hydrogen-bond-induced selectivity of a head-to-head photo-dimerisation of dialkynylanthracene - access to tetradentate Lewis acids. | 2021 Jun 9 |
1 |
| 5 |
34266277 | Revisiting conformations of methyl lactate in water and methanol. | 2021 Jul 14 |
1 |
| 6 |
34346532 | Sequential Hydrogen Tunneling in o-Tolylmethylene. | 2021 Dec 20 |
1 |
| 7 |
34465779 | A quantitative model predicts how m6A reshapes the kinetic landscape of nucleic acid hybridization and conformational transitions. | 2021 Aug 31 |
1 |
| 8 |
34612367 | Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles. | 2021 Sep 14 |
1 |
| 9 |
34669416 | DFT-Based Stereochemical Rationales for the Bifunctional Brønsted Acid/Base-Catalyzed Diastereodivergent and Enantioselective aza-Henry Reactions of α-Nitro Esters. | 2021 Nov 5 |
1 |
| 10 |
32618986 | Hydrogen bond, ring tension and π-conjugation effects: methyl and vinyl substitutions dramatically change the photodynamics of Criegee intermediates. | 2020 Jul 21 |
2 |
| 11 |
32693297 | Mechanisms underlying the cytotoxic activity of syn/anti-isomers of dinuclear Au(I) NHC complexes. | 2020 Oct 1 |
1 |
| 12 |
32906104 | O-GlcNAcylation inhibits the oligomerization of alpha-synuclein by declining intermolecular hydrogen bonds through a steric effect. | 2020 Dec 1 |
1 |
| 13 |
32957071 | Interpretation of α-synuclein UV absorption spectra in the peptide bond and the aromatic regions. | 2020 Nov |
1 |
| 14 |
30681339 | Synergy of Water and Ammonia Hydrogen Bonding in a Gas-Phase Reaction. | 2019 Feb 21 |
1 |
| 15 |
30776889 | Highly Diastereo- and Enantioselective Access to syn-α-Amido β-Hydroxy Esters via Ruthenium-Catalyzed Dynamic Kinetic Resolution-Asymmetric Hydrogenation. | 2019 Mar 15 |
1 |
| 16 |
30938392 | Control of conformation in α-helix mimicking aromatic oligoamide foldamers through interactions between adjacent side-chains. | 2019 Apr 10 |
1 |
| 17 |
31043594 | Rapid unimolecular reaction of stabilized Criegee intermediates and implications for atmospheric chemistry. | 2019 May 1 |
2 |
| 18 |
31292739 | Thermal decomposition of syn- and anti-dihydropyrenes; functional group-dependent decomposition pathway. | 2019 Jul 10 |
1 |
| 19 |
31569643 | Promutagenicity of 8-Chloroguanine, A Major Inflammation-Induced Halogenated DNA Lesion. | 2019 Sep 27 |
1 |
| 20 |
29139184 | Achieving Strong Positive Cooperativity through Activating Weak Non-Covalent Interactions. | 2018 Jan 15 |
1 |
| 21 |
29509424 | A Lanthanide Luminescent Cation Exchange Material Derived from a Flexible Tricarboxylic Acid 2,6-Bis(1,2,3-triazol-4-yl)pyridine (btp) Tecton. | 2018 Apr 2 |
1 |
| 22 |
29546256 | Characterization of the micelle structure of oleic acid-based gemini surfactants: effect of stereochemistry. | 2018 Mar 28 |
2 |
| 23 |
29620891 | The Anomeric Effect: It's Complicated. | 2018 May 4 |
1 |
| 24 |
29675775 | Atomic structures of excited state A-T Hoogsteen base pairs in duplex DNA by combining NMR relaxation dispersion, mutagenesis, and chemical shift calculations. | 2018 Apr |
1 |
| 25 |
29850087 | Syn and anti conformers of di-ammonium aqua-bis(malonato)oxidovanadate(IV) in an anhydrate crystal. | 2018 May 1 |
1 |
| 26 |
30351099 | Jet-Cooled Spectroscopy of ortho-Hydroxycyclohexadienyl Radicals. | 2018 Nov 15 |
1 |
| 27 |
28134364 | Conformational structures of jet-cooled acetaminophen-water clusters: a gas phase spectroscopic and computational study. | 2017 Feb 8 |
1 |
| 28 |
28443920 | How does substitution affect the unimolecular reaction rates of Criegee intermediates? | 2017 May 17 |
1 |
| 29 |
28786673 | About Underappreciated Yet Active Conformations of Thiourea Organocatalysts. | 2017 Aug 18 |
1 |
| 30 |
28858526 | Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations. | 2017 Oct 6 |
1 |
| 31 |
28868538 | Radicals derived from acetaldehyde and vinyl alcohol. | 2017 Oct 18 |
1 |
| 32 |
28872061 | Computational, 1H NMR, and X-ray structural studies on 1-arylurazole tetrazane dimers. | 2017 Sep 1 |
1 |
| 33 |
28960976 | Stereochemical Characterization of Polyketide Stereotriads Synthesized via Hydrogen-Mediated Asymmetric syn-Crotylation. | 2017 Oct 20 |
5 |
| 34 |
28972756 | Quantum Chemical Rovibrational Analysis of the HOSO Radical. | 2017 Oct 26 |
1 |
| 35 |
29144141 | Experimental Demonstration of a Sizeable Nonclassical CH···G Hydrogen Bond in Cyclohexane Derivatives: Stabilization of an Axial Cyano Group. | 2017 Dec 1 |
2 |
| 36 |
27684431 | Different Conformations of 2'-Deoxycytidine in the Gas and Solid Phases: Competition between Intra- and Intermolecular Hydrogen Bonds. | 2016 Oct 20 |
1 |
| 37 |
31457152 | Triazole-Linked Quinoline Conjugate of Glucopyranose: Selectivity Comparison among Zn2+, Cd2+, and Hg2+ Based on Spectroscopy, Thermodynamics, and Microscopy, and Reversible Sensing of Zn2+ and the Structure of the Complex Using DFT. | 2016 Oct 31 |
2 |
| 38 |
25813047 | New insights into Hoogsteen base pairs in DNA duplexes from a structure-based survey. | 2015 Apr 20 |
1 |
| 39 |
25880616 | Synthesis of macrocyclic receptors with intrinsic fluorescence featuring quinizarin moieties. | 2015 May 15 |
1 |
| 40 |
25969814 | Halogen and Hydrogen Bonding Benzothiophene Diol Derivatives: A Study Using ab initio Calculations and X-Ray Crystal Structure Measurements. | 2015 Apr |
2 |
| 41 |
26427992 | Computational and NMR Spectroscopic Evidence for Stereochemistry-Dependent Conformations of 2,2,6,6-Tetramethylpiperidinyl-Masked 1,2-Diols. | 2015 Oct 16 |
1 |
| 42 |
26503048 | Rhodium-catalysed syn-carboamination of alkenes via a transient directing group. | 2015 Nov 5 |
1 |
| 43 |
24418908 | Does the tautomeric status of the adenine bases change upon the dissociation of the A*·A(syn) Topal-Fresco DNA mismatch? A combined QM and QTAIM atomistic insight. | 2014 Feb 28 |
2 |
| 44 |
24722458 | Atomistic picture for the folding pathway of a hybrid-1 type human telomeric DNA G-quadruplex. | 2014 Apr |
1 |
| 45 |
24820546 | OH-stretching in synthetic hydrogen-bonded chains. | 2014 Jun 12 |
3 |
| 46 |
25012815 | Dissolution of cellulose in ionic liquids: an ab initio molecular dynamics simulation study. | 2014 Sep 7 |
1 |
| 47 |
25048293 | Hydrogenation of imines catalyzed by trisphosphine-substituted molybdenum and tungsten nitrosyl hydrides and co-catalytic acid. | 2014 Oct |
2 |
| 48 |
25125283 | Trisphosphine-chelate-substituted molybdenum and tungsten nitrosyl hydrides as highly active catalysts for olefin hydrogenations. | 2014 Sep 22 |
3 |
| 49 |
25145967 | Controlled dynamic helicity of a folded macrocycle based on a bisterephthalamide with a twofold Z-shaped structure. | 2014 Nov |
1 |
| 50 |
25745269 | Hydrogen Bonding: HOC=O· · ·H-N vs. HOC=O· · ·H-C. | 2014 Oct 1 |
4 |