Relevance of weak hydrogen bonds in the conformation of organic compounds and bioconjugates: evidence from recent experimental data and high-level ab initio MO calculations.
about
Variation in Mutation Rates Caused by RB69pol Fidelity Mutants Can Be Rationalized on the Basis of Their Kinetic Behavior and Crystal StructuresSubstituent effects on non-covalent interactions with aromatic rings: insights from computational chemistryImportance of CH/π hydrogen bonds in recognition of the core motif in proline-recognition domains: an ab initio fragment molecular orbital study.DLPNO-CCSD(T) scaled methods for the accurate treatment of large supramolecular complexes.Probing the C-H⋅⋅⋅π weak hydrogen bond in anesthetic binding: the sevoflurane-benzene cluster.Experimental and theoretical determination of the accurate CH/π interaction energies in benzene-alkane clusters: correlation between interaction energy and polarizability.Stacking interactions between carbohydrate and protein quantified by combination of theoretical and experimental methods.1-(1-Adamantylmeth-yl)-1H-benzimidazole.Docking and scoring with ICM: the benchmarking results and strategies for improvement.Oxyanion steering and CH-π interactions as key elements in an N-heterocyclic carbene-catalyzed [4 + 2] cycloaddition.Chemical basis for the recognition of trimethyllysine by epigenetic reader proteins.Strong orbital interaction in a weak CH-π hydrogen bonding system.Computational study on the interactions and orientation of monoclonal human immunoglobulin G on a polystyrene surface.Halides with Fifteen Aliphatic C-H···Anion Interaction Sites.Aromatic rings in chemical and biological recognition: energetics and structures.Structural relaxation of vapor-deposited molecular glasses and supercooled liquids.London dispersion in molecular chemistry--reconsidering steric effects.Solid state characterization and theoretical study of non-linear optical properties of a Fluoro-N-Acylhydrazide derivative.Multivalent agents containing 1-substituted 2,3,4-trihydroxyphenyl moieties as novel synthetic polyphenols directed against HIV-1.Non-covalent interaction of benzene with methanol and diethyl ether solid surfaces.Behavior of Halogen Bonds of the Y-X⋅⋅⋅π Type (X, Y=F, Cl, Br, I) in the Benzene π System, Elucidated by Using a Quantum Theory of Atoms in Molecules Dual-Functional Analysis.Dynamic and static behavior of the H...π and E...π interactions in EH₂ adducts of benzene π-system (E = O, S, Se and Te), elucidated by QTAIM dual functional analysis.Interference of H-bonding and substituent effects in nitro- and hydroxy-substituted salicylaldehydes.Arginine and Lysine interactions with π residues in metalloproteins.Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.Structural role of RKS motifs in chromatin interactions: a molecular dynamics study of HP1 bound to a variably modified histone tailOff-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.Supramolecular networks of 10-(2-hydroxyethyl)acridin-9(10H)-one and 10-(2-chloroethyl)acridin-9(10H)-one.C-H···N hydrogen-bonding interaction in 7-azaindole:CHX3 (X=F, Cl) complexes.Synthesis of Benzodihydrofurans by Asymmetric C-H Insertion Reactions of Donor/Donor Rhodium Carbenes.Pentalenene formation mechanisms redux.Mirror-symmetry-breaking in poly[(9,9-di-n-octylfluorenyl- 2,7-diyl)-alt-biphenyl] (PF8P2) is susceptible to terpene chirality, achiral solvents, and mechanical stirring.Interpretation of Spectroscopic Markers of Hydrogen Bonds.Asymmetric niobium guanidinates as intermediates in the catalytic guanylation of amines.Stereocontrol in dinuclear triple lithium-bridged titanium(IV) complexes: solving some stereochemical mysteries.Effect of aromatic ring fluorination on CH···π interactions: rotational spectrum and structure of the fluorobenzene···acetylene weakly bound dimer.Study on the Catalytic Behavior of Bifunctional Hydrogen-Bonding Catalysts Guided by Free Energy Relationship Analysis of Steric Parameters.Phosphoric Acid Catalyzed Asymmetric 1,6-Conjugate Addition of Thioacetic Acid to para-Quinone Methides.On the weakly C-H···π hydrogen bonded complexes of sevoflurane and benzene.Insights into Thiol-Aromatic Interactions: A Stereoelectronic Basis for S-H/π Interactions.
P2860
Q27666521-E4C878B9-43E2-435F-A853-90ADDFD3A2F0Q28248427-83A3F85F-B973-4CA9-A6EB-3505BD29370EQ30010283-89B71529-ED7A-4971-962D-E0C7EF4CC880Q30100997-6D7183C7-114C-4ADF-A4F8-91F862580E3BQ30457403-9E51E8B2-B436-43E3-8A7A-504AFA74FA27Q33897774-A4642389-E073-4649-A629-5E0ECFFF20CAQ34441077-120C63CB-0977-4E16-97D0-67013A45AC58Q35637939-960DB18B-3186-4F8A-B703-3CA0DAA2B7DAQ36098710-0858B010-D655-47C6-ADB9-BB7AEF663842Q36119700-1CE01E7D-278E-451B-84FA-827F951DCFF4Q36358096-ED61C53F-B9AB-4AEB-A480-44DE5E2A2DD4Q36633469-0C0C1144-FAFA-4C76-96C9-C3C4A29FA5B7Q37020764-1CFA0287-832B-4A99-8954-A742B25BC311Q37117370-4F65B6AE-01D5-4C32-B066-BFC2461A8EF6Q37871537-6F9470D2-7488-4BB4-B96A-73132DD5BC29Q38211801-F3814A5A-A00D-43B6-8077-6679C8925C8AQ38564398-96683D43-B2CB-4671-8FF4-316CEA77019CQ38691564-C229AE7C-EEAA-40ED-A6B4-7AEB26605F63Q38985176-289B0A57-4A88-435D-9D44-87B6E2ED27EDQ39602946-7C4DA310-961A-4269-B74B-1D9DBCE86B65Q39813900-D1554009-69A3-4064-BD2A-CC188D968B78Q40051480-27B894B4-5821-457A-9A73-E67F18834D6EQ40098571-1AAAD38A-7935-4DA4-8325-2E762BFF71C2Q41501034-7C1B8E43-40CE-4947-A05D-AF8B9E29AAA9Q41726863-E622635E-DFD8-4647-9B0E-628614FD8707Q42541552-B2F6EC19-09B5-420C-BFB5-E7203A3D87DBQ43938273-94530783-2510-470B-AB5F-52E2A15C644AQ44911357-5470003C-9B87-4514-B71C-9DFC58D6FE88Q44953523-835B4111-9CEB-46E9-A88A-187F8B32F0CEQ45955161-7C529E29-F0A8-48DA-AA0A-4EDCD4C2C3A8Q46380265-32969A27-E4F7-41F4-81B9-F64960085C7DQ46470879-2C9064BC-9450-44C5-A7B5-3ED01526C426Q46569227-15A6E884-C451-4EDE-9E79-9D28B7056203Q46870113-DC47B9D4-5106-4FFF-8E0E-B01CB9B88088Q46899750-4BEEA56C-A604-4CDB-9FD7-6133A0442730Q46991288-AEE38237-5584-4681-A300-D289CDD2E904Q48046246-CDA66FBE-B64C-4B25-8ACB-156E35D61B7BQ48092909-05D98C3A-FB3E-42FE-BA10-67CD21CBB416Q48256100-EC630D6A-016D-4AAD-BB6D-C548C67B363CQ48358876-7A9511A0-EACA-481B-B456-446D4BD3C9B5
P2860
Relevance of weak hydrogen bonds in the conformation of organic compounds and bioconjugates: evidence from recent experimental data and high-level ab initio MO calculations.
description
2010 nî lūn-bûn
@nan
2010 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
Relevance of weak hydrogen bon ...... vel ab initio MO calculations.
@ast
Relevance of weak hydrogen bon ...... vel ab initio MO calculations.
@en
type
label
Relevance of weak hydrogen bon ...... vel ab initio MO calculations.
@ast
Relevance of weak hydrogen bon ...... vel ab initio MO calculations.
@en
prefLabel
Relevance of weak hydrogen bon ...... vel ab initio MO calculations.
@ast
Relevance of weak hydrogen bon ...... vel ab initio MO calculations.
@en
P356
P1433
P1476
Relevance of weak hydrogen bon ...... vel ab initio MO calculations.
@en
P2093
Motohiro Nishio
Osamu Takahashi
P304
P356
10.1021/CR100072X
P50
P577
2010-10-01T00:00:00Z