共 50 条
- [41] Investigation of the resonance-assisted hydrogen bond in model β-diketones through localized molecular orbital analysis of the spin-spin coupling constants related to the O-H•••O hydrogen bondMAGNETIC RESONANCE IN CHEMISTRY, 2015, 53 (02) : 120 - 129Zarycz, M. Natalia C.Provasi, Patricio F.
- [42] Correlating Photoacidity to Hydrogen-Bond Structure by Using the Local O-H Stretching Probe in Hydrogen-Bonded Complexes of Aromatic AlcoholsJOURNAL OF PHYSICAL CHEMISTRY A, 2015, 119 (20): : 4800 - 4812Psciuk, Brian T.Premont-Schwarz, MirabelleKoeppe, BenjaminKeinan, SharonXiao, DequanNibbering, Erik T. J.Batista, Victor S.
- [43] Evidence for the O-H⋅⋅⋅O=C Resonance-Assisted Hydrogen Bond in Tropolones and Quantification of its σ- and π-Components Using Molecular Tailoring ApproachCHEMPHYSCHEM, 2024,Afonin, Andrei V.Rusinska-Roszak, Danuta
- [44] MO INVESTIGATIONS ON LIGNIN MODEL COMPOUNDS .8. PCILO STUDY OF INTRA-MOLECULAR HYDROGEN-BOND IN GUAIACOL AND O-VANILLINADVANCES IN MOLECULAR RELAXATION AND INTERACTION PROCESSES, 1979, 14 (04): : 315 - 320REMKO, M
- [45] Effect of Intermolecular O-H QQ QQ QQ O Hydrogen Bonding on the Molecular Structure of Phenol: An ab Initio Molecular Orbital StudyStructural Chemistry, 6 (01):Ramondo, F.Bencivenni, L.Portalone, G.Domenicano, A.
- [46] Estimation of the Intramolecular O-H•••O=C Hydrogen Bond Energy via the Molecular Tailoring Approach. Part I: Aliphatic StructuresJOURNAL OF CHEMICAL INFORMATION AND MODELING, 2014, 54 (07) : 1963 - 1977Rusinska-Roszak, DanutaSowinski, Grzegorz
- [47] The H-function for the intra-molecular vibrational energy redistribution as an algebraic approach:: resonances in H2O and DCNCHEMICAL PHYSICS LETTERS, 2002, 352 (1-2) : 79 - 84Zheng, DSWang, PJWu, GZ
- [48] H/D Isotope Effects on the Short O-H•••O Hydrogen Bond Geometries and Temperature-Dependent Polymorphism of Two Organic Salts Containing Hydrogen 2,3,5,6-Tetrafluorophthalate MonoanionsCRYSTAL GROWTH & DESIGN, 2021, 21 (05) : 2589 - 2595Miao, Le-PingLiang, Bei-DouJin, TongHan, Xiang-BinZhang, Wen
- [49] α-proton Chemical Shift Index and Amide Proton Chemical Shift Temperature Coefficient of Melittin in Methanol: Indicators for a Helix Structure and an Intra-Molecular Hydrogen Bond?PROTEIN JOURNAL, 2022, 41 (06): : 625 - 635Miura, Yoshinori
- [50] INTRA-MOLECULAR FORCE-FIELDS FOR THE WATER-MOLECULES IN CUCL2 . 2H2O AND CASO4 . 2H2OJOURNAL OF MOLECULAR STRUCTURE, 1979, 53 (01) : 97 - 102ERIKSSON, ALINDGREN, J