I. Efremenko

Jan M. L. Martin, I. Efremenko, 2019, PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019).

Electron Transfer Oxidation of Benzene and Aerobic Oxidation to Phenol

R. Neumann, Jan M. L. Martin, R. Carmieli, 2016 .

Quantum chemical study of neutral and single charged palladium clusters

M. Sheintuch, I. Efremenko, 2000 .

Hydrodenitrification with PdCu Catalysts: Catalyst Optimization by Experimental and Quantum Chemical Approaches

M. Sheintuch, I. Efremenko, Uri Matatov-Meytal, 2006 .

New ruthenium nitrosyl pincer complexes bearing an O2 ligand. Mono-oxygen transfer.

Y. Diskin‐Posner, Jan M. L. Martin, Yehoshoa Ben‐David, 2015, Inorganic chemistry.

Coupled Cluster Benchmark of New DFT and Local Correlation Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II, III) Chloride Carbonyls.

Jan M. L. Martin, I. Efremenko, 2021, The journal of physical chemistry. A.

Oxygenation of methylarenes to benzaldehyde derivatives by a polyoxometalate mediated electron transfer-oxygen transfer reaction in aqueous sulfuric Acid.

R. Neumann, I. Efremenko, B. B. Sarma, 2015, Journal of the American Chemical Society.

CO-Induced Methyl Migration in a Rhodium Thiophosphoryl Pincer Complex and Its Comparison with Phosphine-Based Complexes: The Divergent Effects of S and P Donor Ligands

Jan M. L. Martin, Yehoshoa Ben‐David, D. Milstein, 2013 .

Effect of CO on the oxidative addition of arene C-H bonds by cationic rhodium complexes.

Y. Diskin‐Posner, L. Shimon, Jan M. L. Martin, 2010, Chemistry.

Exclusive C–C Oxidative Addition in a Rhodium Thiophosphoryl Pincer Complex and Computational Evidence for an η3-C–C–H Agostic Intermediate

Y. Diskin‐Posner, Jan M. L. Martin, Yehoshoa Ben‐David, 2012 .

The impact of weak C-H...Rh interactions on the structure and reactivity of trans-[Rh(CO)2(phosphine)2]+: an experimental and theoretical examination.

Y. Diskin‐Posner, L. Shimon, Jan M. L. Martin, 2008, Chemistry.

DFT study of the structure and reactivity of the terminal Pt(IV)-oxo complex bearing no electron-withdrawing ligands.

Jan M. L. Martin, E. Poverenov, D. Milstein, 2010, Journal of the American Chemical Society.

Computational insight into the initial steps of the Mars-van Krevelen mechanism: electron transfer and surface defects in the reduction of polyoxometalates.

R. Neumann, I. Efremenko, 2012, Journal of the American Chemical Society.

Protonation of phosphovanadomolybdates H(3+x)PV(x)Mo(12-x)O40: computational insight into reactivity.

R. Neumann, I. Efremenko, 2011, The journal of physical chemistry. A.

Gd3+ complexes as potential spin labels for high field pulsed EPR distance measurements.

D. Goldfarb, Jan M. L. Martin, D. Milstein, 2007, Journal of the American Chemical Society.

Polyoxometalate-catalyzed insertion of oxygen from O(2) into tin-alkyl bonds.

R. Neumann, Jan M. L. Martin, A. Khenkin, 2013, Journal of the American Chemical Society.

The kinetics and mechanism of oxidation of reduced phosphovanadomolybdates by molecular oxygen: theory and experiment in concert.

R. Neumann, Jan M. L. Martin, A. Khenkin, 2018, Physical chemistry chemical physics : PCCP.

Accumulation of Explosives in Hair—Part 3: Binding Site Study *

James L. Smith, J. Oxley, L. Kirschenbaum, 2012, Journal of forensic sciences.

Benzyl Cation Stabilized by Metal Complexation. Relative Stability of Coordinated Methylene Arenium, π-Benzylic, and σ-Benzylic Structures

Jan M. L. Martin, E. Poverenov, D. Milstein, 2013 .

Molecular dynamics simulations of the interaction of Mouse and Torpedo acetylcholinesterase with covalent inhibitors explain their differential reactivity: Implications for drug design.

J. Sussman, I. Silman, Jan M. L. Martin, 2019, Chemico-biological interactions.

Carbon membranes for high temperature gas separations: Experiment and theory

M. Sheintuch, I. Efremenko, Gabriel Sznejer, 2004 .

Calculation of the activation energies of dissociative oxygen adsorption on the surfaces of rhodium (111), silver (111) and (110), and gold (111)

E. D. German, I. Efremenko, 2004 .

Elementary Act of Dissociative Adsorption of Two–Atom Molecules on a Solid Surface in a Polar Solvent

E. D. German, I. Efremenko, A. Kuznetsov, 2003 .

Theory of Dissociative Adsorption Kinetics of Homonuclear Diatomic Molecules on Solid Surfaces

E. D. German, A. Kuznetsov, M. Sheintuch, 2002 .

Adsorption of explosive molecules on human hair surfaces

Y. Zeiri, I. Efremenko, Raya Zach, 2007 .

Predicting solute adsorption on activated carbon: phenol.

M. Sheintuch, I. Efremenko, 2006, Langmuir : the ACS journal of surfaces and colloids.

Quantum Chemical and Molecular Docking Studies of [(η6-Cp*Rh-Tyr1)-Leu-enkephalin]2+ to G-Protein-Coupled μ-, ∂-, and κ-Opioid Receptors and Comparisons to the Neuropeptide [Tyr1]-Leu-enkephalin: Conformations, Noncovalent Amino Acid Binding Sites, Binding Energies, Electronic Factors, and Receptor

I. Efremenko, R. Fish, 2015 .

C−H Bond Activation in Ru‐Catalyzed Reactions of Arenes with Olefins: Theoretical Insights into Hydroarylation and Oxidative Coupling Mechanisms

Jan M. L. Martin, I. Efremenko, 2023, Israel Journal of Chemistry.

Synthetic and mechanistic pathways of cis and trans-hydroxytamoxifen drug derivatives reacting with Cp*Rh complexes that involve η1-N, η2-N,O, η1-O, and η6 bonding modes, via a novel N-π rearrangement; relative binding affinities and computer docking studies of cis and trans-η6-Cp*Rh-hydroxytamoxife

P. Yaswen, A. Vessières, G. Jaouen, 2011, Inorganic chemistry.

Density Functional Study of the Interactions between Dihydrogen and Pdn (n = 1−4) Clusters

M. Sheintuch, I. Efremenko, A. German, 2000 .

Photochemical reduction of carbon dioxide catalyzed by a ruthenium-substituted polyoxometalate.

R. Neumann, Jan M. L. Martin, L. Weiner, 2010, Chemistry.

The Atomic Partial Charges Arboretum: Trying to See the Forest for the Trees

Minsik Cho, Jan M. L. Martin, Golokesh Santra, 2020, Chemphyschem : a European journal of chemical physics and physical chemistry.

Protonation of phosphovanadomolybdates H(3+x)PV(x)Mo(12-x)O40: computational insight into reactivity.

R. Neumann, I. Efremenko, 2011, The journal of physical chemistry. A.