Literature DB >> 19086050

Electron donation in the water-water hydrogen bond.

Rustam Z Khaliullin1, Alexis T Bell, Martin Head-Gordon.   

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Year:  2009        PMID： 19086050     DOI： 10.1002/chem.200802107

Source DB:  PubMed          Journal:  Chemistry        ISSN： 0947-6539            Impact factor:   5.236


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  12 in total

1.  Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water.

Authors:  Thomas D Kühne; Rustam Z Khaliullin
Journal:  Nat Commun       Date:  2013       Impact factor: 14.919

2.  Numerical study on the partitioning of the molecular polarizability into fluctuating charge and induced atomic dipole contributions.

Authors:  Ye Mei; Andrew C Simmonett; Frank C Pickard; Robert A DiStasio; Bernard R Brooks; Yihan Shao
Journal:  J Phys Chem A       Date:  2015-05-18       Impact factor: 2.781

3.  n --> pi* Interaction and n)(pi Pauli repulsion are antagonistic for protein stability.

Authors:  Charles E Jakobsche; Amit Choudhary; Scott J Miller; Ronald T Raines
Journal:  J Am Chem Soc       Date:  2010-05-19       Impact factor: 15.419

4.  Energy Decomposition Analyses Reveal the Origins of Catalyst and Nucleophile Effects on Regioselectivity in Nucleopalladation of Alkenes.

Authors:  Xiaotian Qi; Daniel G Kohler; Kami L Hull; Peng Liu
Journal:  J Am Chem Soc       Date:  2019-07-19       Impact factor: 15.419

5.  Rovibrational energies and spectroscopic constants for H2O-Ng complexes.

Authors:  Wiliam F da Cunha; Rhuiago Mendes de Oliveira; Luiz F Roncaratti; João B L Martins; Geraldo M e Silva; Ricardo Gargano
Journal:  J Mol Model       Date:  2014-11-26       Impact factor: 1.810

6.  Polarizable Atomic Multipole-based Molecular Mechanics for Organic Molecules.

Authors:  Pengyu Ren; Chuanjie Wu; Jay W Ponder
Journal:  J Chem Theory Comput       Date:  2011-10-11       Impact factor: 6.006

7.  Many-body effects in the X-ray absorption spectra of liquid water.

Authors:  Fujie Tang; Zhenglu Li; Chunyi Zhang; Steven G Louie; Roberto Car; Diana Y Qiu; Xifan Wu
Journal:  Proc Natl Acad Sci U S A       Date:  2022-05-13       Impact factor: 12.779

Review 8.  Water in protein hydration and ligand recognition.

Authors:  Manuela Maurer; Chris Oostenbrink
Journal:  J Mol Recognit       Date:  2019-08-27       Impact factor: 2.891

9.  Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments.

Authors:  Hossam Elgabarty; Rustam Z Khaliullin; Thomas D Kühne
Journal:  Nat Commun       Date:  2015-09-15       Impact factor: 14.919

10.  Performing the Millikan experiment at the molecular scale: Determination of atomic Millikan-Thomson charges by computationally measuring atomic forces.

Authors:  T Ryan Rogers; Feng Wang
Journal:  J Chem Phys       Date:  2017-10-28       Impact factor: 3.488
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