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List of works by Junming Ho

<i>A</i>-value revisited: ring flip energy of chair structures in halogenated cyclohexanes by quantum chemical methods

scientific article published in 2022

A universal approach for continuum solvent pK a calculations: are we there yet?

scientific article published on 19 November 2009

Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matching

scientific article published on 11 September 2019

Accelerating the Calculation of Solute-Solvent Interaction Energies through Systematic Molecular Fragmentation

scientific article published on 23 September 2019

Accurate line shapes from sub-1 cm(-1) resolution sum frequency generation vibrational spectroscopy of α-pinene at room temperature

article published in 2015

Are Explicit Solvent Models More Accurate than Implicit Solvent Models? A Case Study on the Menschutkin Reaction

scientific article published on 25 June 2019

Are thermodynamic cycles necessary for continuum solvent calculation of pKas and reduction potentials?

scientific article

Calculating Free Energy Changes in Continuum Solvation Models

scientific article

Chloroform as a hydrogen atom donor in Barton reductive decarboxylation reactions

scientific article published on 24 June 2013

Comment on the Correct Use of Continuum Solvent Models

article

Computational electrochemistry: prediction of liquid-phase reduction potentials.

scientific article

Corey-Chaykovsky Reactions of Nitro Styrenes Enable cis-Configured Trifluoromethyl Cyclopropanes

scientific article published on 21 June 2017

Deltamides and Croconamides: Expanding the Range of Dual H-bond Donors for Selective Anion Recognition

scientific article

Do Better Quality Embedding Potentials Accelerate the Convergence of QM/MM Models? The Case of Solvated Acid Clusters

scientific article published on 26 September 2018

Eigenvector centrality for characterization of protein allosteric pathways

scientific article published on 10 December 2018

Eisenporphyrin-katalysierte C-H-Funktionalisierung von Indol mit Diazoacetonitril für die Synthese von Tryptaminen

Electron Transfer Assisted by Vibronic Coupling from Multiple Modes.

scientific article

Electronic Structure and Triplet-Triplet Energy Transfer in Artificial Photosynthetic Antennas

scientific article published on 11 August 2018

Evaluation of a chiral cubane-based Schiff base ligand in asymmetric catalysis reactions

scientific article

First-principles prediction of acidities in the gas and solution phase

scientific article published on 30 March 2011

First-principles prediction of the pK(a)s of anti-inflammatory oxicams

scientific article published on 01 November 2010

Halide Anion Triggered Reactions of Michael Acceptors with Tropylium Ion

scientific article published on 04 December 2019

Harnessing entropy to direct the bonding/debonding of polymer systems based on reversible chemistry

scientific article published in 2013

How accurate are approximate quantum chemical methods at modelling solute-solvent interactions in solvated clusters?

scientific article published on 01 February 2020

Just add sugar for carbohydrate induced self-assembly of curcumin

scientific article published in Nature Communications

Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions

scientific article published on 01 September 2021

Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate

article

MoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha nova G-Quadruplex

scientific article (publication date: 11 November 2014)

N-Heterocyclic Olefin Catalyzed Silylation and Hydrosilylation Reactions of Hydroxyl and Carbonyl Compounds.

scientific article

NHC-Catalyzed Metathesis and Phosphorylation Reactions of Disulfides: Development and Mechanistic Insights

scientific article published on 20 February 2017

Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.

scientific article published on 18 April 2018

Nontargeted Identification of Plasma Proteins O-, N-, and S-Transmethylated by O-Methyl Organophosphates

scientific article published on 17 November 2020

On the mechanism of protein supercharging in electrospray ionisation mass spectrometry: Effects on charging of additives with short- and long-chain alkyl constituents with carbonate and sulphite terminal groups

scientific article published on 28 December 2018

Origin and prediction of highly-specific bond cleavage sites in the thermal activation of intact protein ions

article

Peptidomimetic Star Polymers for Targeting Biological Ion Channels

scientific article

Predicting Octanol-Water Partition Coefficients: Are Quantum Mechanical Implicit Solvent Models Better than Empirical Fragment-Based Methods?

scientific article published on 25 July 2019

Probing the remarkable thermal kinetics of visual rhodopsin with E181Q and S186A mutants.

scientific article published in June 2017

Protonated alcohols are examples of complete charge-shift bonds

scientific article published on 15 October 2014

Quantum Chemical Prediction of Equilibrium Acidities of Ureas, Deltamides, Squaramides and Croconamides.

scientific article published on 23 August 2017

Resolution and Improved Synthesis of (±)-Arsenicin A: A Natural Adamantane-Type Tetraarsenical Possessing Strong Anti-Acute Promelocytic Leukemia Cell Line Activity

scientific article published on 8 February 2012

Reversible cyclopropane ring-cleavage reactions within etheno-bridged [4.3.1]propelladiene frameworks leading to aza- and oxa-[5.6.5.6]fenestratetraenes

scientific article published on 17 September 2012

Rigid body Brownian dynamics as a tool for studying ion channel blockers

scientific article published on 7 February 2012

Structure–function relationships of donor–acceptor Stenhouse adduct photochromic switches

scientific article published on 12 September 2018

Synthesis of (±)-Panduratin A and Related Natural Products Using the High Pressure Diels-Alder Reaction

scientific article published in January 2013

The MOD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes

scientific article published on 15 July 2016

Triplet-triplet energy transfer in artificial and natural photosynthetic antennas

scientific article published on 26 June 2017

Tropylium-promoted carbonyl-olefin metathesis reactions

scientific article published on 04 May 2018

Tryptamine Synthesis by Iron Porphyrin Catalyzed C−H Functionalization of Indoles with Diazoacetonitrile

scientific article published on 04 February 2019

Unanticipated Stickiness of α-Pinene

scientific article published on 19 January 2017

Validation of the Distal Effect of Electron-Withdrawing Groups on the Stability of Peptide Enolates and Its Exploitation in the Controlled Stereochemical Inversion of Amino Acid Derivatives

scientific article published on 07 July 2011

Visible-Light Photoswitching by Azobenzazoles

scientific article published on 16 January 2020

pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.

scientific article published on 14 June 2016

pKaCalculation of Some Biologically Important Carbon Acids - An Assessment of Contemporary Theoretical Procedures

scientific article published on 09 January 2009

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