On the public citation graph

Theoretical Study of Trans-metalation Process in Palladium-Catalyzed Borylation of Iodobenzene with Diboron

0 signed · 251 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.

Claim with ORCID

Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.

See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/(sici)1096-987x(199608)17:11<1359::aid-jcc9>3.0.co;2-lopenalex-snapshot

Basis sets for transition metals: Optimized outer p functions

inferredcites →https://doi.org/10.1016/0009-2614(93)89068-sopenalex-snapshot

A set of d-polarization functions for pseudo-potential basis sets of the main group elements AlBi and f-type polarization functions for Zn, Cd, Hg

inferredcites →https://doi.org/10.1016/0009-2614(96)00349-1openalex-snapshot

Ab initio study of solvated molecules: a new implementation of the polarizable continuum model

inferredcites →https://doi.org/10.1016/0022-328x(83)85077-3openalex-snapshot

The cross-coupling reactions of organic halides with organic derivatives of tin, mercury and copper catalyzed by palladium

inferredcites →https://doi.org/10.1016/0022-328x(87)80052-9openalex-snapshot

A new furan annelation reaction by the palladium-catalyzed reaction of 2-alkynyl carbonates or 2-(1-alkynyl)oxiranes with β-keto esters

inferredcites →https://doi.org/10.1016/0040-4039(91)80565-nopenalex-snapshot

Palladium-catalyzed tandem carbonylation and intramolecular diels-alder reaction of 4-alken-2-ynyl carbonates: a new synthetic method for polycyclic compounds

inferredcites →https://doi.org/10.1016/0040-4039(96)01505-5openalex-snapshot

A synthesis of allylboronates via the palladium(0)-catalyzed cross-coupling reaction of bis(pinacolato)diboron with allylic acetates

inferredcites →https://doi.org/10.1016/0301-0104(81)85090-2openalex-snapshot

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

inferredcites →https://doi.org/10.1016/0301-0104(82)85072-6openalex-snapshot

Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes

inferredcites →https://doi.org/10.1016/s0003-2670(97)90138-0openalex-snapshot

Advances in boron chemistry

inferredcites →https://doi.org/10.1016/s0022-328x(00)00470-8openalex-snapshot

Chemistry of Group 13 element-transition metal linkage — the platinum- and palladium-catalyzed reactions of (alkoxo)diborons

inferredcites →https://doi.org/10.1016/s0022-328x(02)01264-0openalex-snapshot

Cross-coupling reaction of organoboron compounds via base-assisted transmetalation to palladium(II) complexes

inferredcites →https://doi.org/10.1016/s0022-328x(98)01055-9openalex-snapshot

Recent advances in the cross-coupling reactions of organoboron derivatives with organic electrophiles, 1995–1998

inferredcites →https://doi.org/10.1016/s0022-328x(99)00686-5openalex-snapshot

Activation of CH4 and H2 by zirconium(IV) and titanium(IV) cationic complexes. Theoretical DFT study

inferredcites →https://doi.org/10.1016/s0040-4020(01)00665-2openalex-snapshot

Advances in the Heck chemistry of aryl bromides and chlorides

inferredcites →https://doi.org/10.1016/s0040-4020(97)10233-2openalex-snapshot

Catalytic cross-coupling reactions in biaryl synthesis

inferredcites →https://doi.org/10.1016/s0040-4039(00)84086-1openalex-snapshot

Palladium-catalyzed carbonylation of propargylic carbonates: Preparation of 2,3- and 2,4-dienyl carboxylates

inferredcites →https://doi.org/10.1016/s0040-4039(00)92717-5openalex-snapshot

Palladium-catalyzed reactions of 2-alkynyl carbonates with olefins. A new synthetic method for vinyl allenes.

inferredcites →https://doi.org/10.1016/s0040-4039(01)95429-2openalex-snapshot

A new stereospecific cross-coupling by the palladium-catalyzed reaction of 1-alkenylboranes with 1-alkenyl or 1-alkynyl halides

inferredcites →https://doi.org/10.1016/s0040-4039(97)00642-4openalex-snapshot

Synthesis of arylboronates via the palladium(0)-catalyzed cross-coupling reaction of tetra(alkoxo)diborons with aryl triflates

inferredcites →https://doi.org/10.1021/ar00078a003openalex-snapshot

Organoborates in new synthetic reactions

inferredcites →https://doi.org/10.1021/ar980063aopenalex-snapshot

Anionic Pd(0) and Pd(II) Intermediates in Palladium-Catalyzed Heck and Cross-Coupling Reactions

inferredcites →https://doi.org/10.1021/cen-v060n019.p050openalex-snapshot

Comprehensive Organometallic Chemistry

inferredcites →https://doi.org/10.1021/cr00039a007openalex-snapshot

Palladium-Catalyzed Cross-Coupling Reactions of Organoboron Compounds

inferredcites →https://doi.org/10.1021/cr9903048openalex-snapshot

The Heck Reaction as a Sharpening Stone of Palladium Catalysis

inferredcites →https://doi.org/10.1021/ic00121a002openalex-snapshot

Lewis Base Adducts of Diboron Compounds: Molecular Structures of [B2(cat)2(4-picoline)] and [B2(cat)2(4-picoline)2] (cat = 1,2-O2C6H4)

inferredcites →https://doi.org/10.1021/ic951504eopenalex-snapshot

Reaction of BX 2 −BX 2 (X = H or OH) with M(PH 3 ) 2 (M = Pd or Pt). A Theoretical Study of the Characteristic Features

inferredcites →https://doi.org/10.1021/j100059a014openalex-snapshot

Reaction of Second-Row Transition-Metal Cations with Methane

inferredcites →https://doi.org/10.1021/ja00002a007openalex-snapshot

Theoretical study of the activation of alkane carbon-hydrogen and carbon-carbon bonds by different transition metals

inferredcites →https://doi.org/10.1021/ja00018a077openalex-snapshot

Reaction of second-row transition-metal atoms with methane

inferredcites →https://doi.org/10.1021/ja00041a030openalex-snapshot

Mechanisms for the reactions between methane and the neutral transition metal atoms from yttrium to palladium

inferredcites →https://doi.org/10.1021/ja00059a036openalex-snapshot

Oxidative addition reactions of saturated Si-X bonds (X = H, F, C, or Si) to Pt(PH3)2. An ab initio MO/MP4 study

inferredcites →https://doi.org/10.1021/ja00063a042openalex-snapshot

The effects of covalent ligands on the oxidative addition reaction between second-row transition-metal atoms and methane

inferredcites →https://doi.org/10.1021/ja00068a053openalex-snapshot

Silicon-hydrogen, silicon-silicon, and carbon-hydrogen bond activation by coordinatively unsaturated rhodium phosphine RhCl(PH3)2: ab initio molecular orbital study

inferredcites →https://doi.org/10.1021/ja00280a003openalex-snapshot

Theoretical studies of oxidative addition and reductive elimination. 3. Carbon-hydrogen and carbon-carbon reductive coupling from palladium and platinum bis(phosphine) complexes

inferredcites →https://doi.org/10.1021/ja002845gopenalex-snapshot

Energy Analysis of Metal-Ligand Bonding in Transition Metal Complexes with Terminal Group-13 Diyl Ligands (CO)4Fe-ER, Fe(EMe)5and Ni(EMe)4(E = B−Tl; R = Cp, N(SiH3)2, Ph, Me) Reveals Significant π Bonding in Homoleptical Molecules

inferredcites →https://doi.org/10.1021/ja00290a037openalex-snapshot

Novel and convenient method for the stereo- and regiospecific synthesis of conjugated alkadienes and alkenynes via the palladium-catalyzed cross-coupling reaction of 1-alkenylboranes with bromoalkenes and bromoalkynes

inferredcites →https://doi.org/10.1021/ja00293a075openalex-snapshot

Novel palladium-catalyzed reactions of propargyl carbonates with carbonucleophiles under neutral conditions

inferredcites →https://doi.org/10.1021/ja00319a020openalex-snapshot

Carbon-hydrogen and hydrogen-hydrogen activation in transition metal complexes and on surfaces

inferredcites →https://doi.org/10.1021/ja00336a030openalex-snapshot

Reaction mechanisms of oxidative addition hydrogen + diphosphineplatinum(0) .fwdarw. dihydridodiphosphineplatinum(II) and reductive elimination hydridomethyldiphosphineplatinum(II) .fwdarw. methane + diphosphineplatinum(0). Ab initio MO study

inferredcites →https://doi.org/10.1021/ja0304345openalex-snapshot

Theoretical Study of the Cp2Zr-Catalyzed Hydrosilylation of Ethylene. Reaction Mechanism Including New σ-Bond Activation

inferredcites →https://doi.org/10.1021/ja952338copenalex-snapshot

Comparison of the C−H Activation of Methane by M(C5H5)(CO) for M = Cobalt, Rhodium, and Iridium

inferredcites →https://doi.org/10.1021/ja9541894openalex-snapshot

Modeling the Solvent Sphere: Mechanism of the Shilov Reaction

inferredcites →https://doi.org/10.1021/ja961847ropenalex-snapshot

An Energetically Feasible Mechanism for the Activation of the C−H Bond by the 16-Electron CpM(PH3)(CH3)+ (M = Rh, Ir) Complex. A Theoretical Study

inferredcites →https://doi.org/10.1021/ja970995uopenalex-snapshot

A Combined Gas-Phase, Solution-Phase, and Computational Study of C−H Activation by Cationic Iridium(III) Complexes

inferredcites →https://doi.org/10.1021/ja972160popenalex-snapshot

Interphylal Product Splicing: The First Total Syntheses of Cephalostatin 1, the North Hemisphere of Ritterazine G, and the Highly Active Hybrid Analogue, Ritterostatin GN1N1

inferredcites →https://doi.org/10.1021/ja972209ropenalex-snapshot

Importance of Quantum Effects for C−H Bond Activation Reactions

inferredcites →https://doi.org/10.1021/ja980297popenalex-snapshot

Inter- and Intramolecular C−H Activation by a Cationic Iridium(III) Center via Oxidative-Addition Reductive-Elimination and σ-Bond Metathesis Pathways

inferredcites →https://doi.org/10.1021/jo00128a024openalex-snapshot

Palladium(0)-Catalyzed Cross-Coupling Reaction of Alkoxydiboron with Haloarenes: A Direct Procedure for Arylboronic Esters

inferredcites →https://doi.org/10.1021/jp981899yopenalex-snapshot

Is a Transition State Planar or Nonplanar in Oxidative Additions of C−H, Si−H, C−C, and Si−C σ-Bonds to Pt(PH3)2? A Theoretical Study

inferredcites →https://doi.org/10.1021/om000002sopenalex-snapshot

C−H Bond Activation of Benzene and Methane by M( η 2 -O 2 CH) 2 (M = Pd or Pt). A Theoretical Study

inferredcites →https://doi.org/10.1021/om00013a052openalex-snapshot

Halide ligand effects on the oxidative addition reaction of methane and hydrogen to second row transition metal complexes

inferredcites →https://doi.org/10.1021/om00019a045openalex-snapshot

Oxidative Addition of Methane to Rhodium(I) and Ruthenium(II) Complexes of Particular Interest

inferredcites →https://doi.org/10.1021/om000249popenalex-snapshot

Bonding Analysis of Titanocene Borane σ-Complexes

inferredcites →https://doi.org/10.1021/om00029a052openalex-snapshot

Alkali-induced disproportionation of palladium(II) tertiary phosphine complexes, [L2PdCl2], to LO and palladium(O). Key intermediates in the biphasic carbonylation of ArX catalyzed by [L2PdCl2]

inferredcites →https://doi.org/10.1021/om00032a039openalex-snapshot

Theoretical studies of inorganic and organometallic reaction mechanisms. 6. Methane activation on transient cyclopentadienylcarbonylrhodium

inferredcites →https://doi.org/10.1021/om0007264openalex-snapshot

Comparison between Oxidative Addition and σ-Bond Metathesis as Possible Mechanisms for the Catalytica Methane Activation Process by Platinum(II) Complexes: A Density Functional Theory Study

inferredcites →https://doi.org/10.1021/om00113a023openalex-snapshot

Reaction of organoboron compounds with platinum(II) disolvento complexes

inferredcites →https://doi.org/10.1021/om00135a001openalex-snapshot

Theoretical studies of oxidative addition and reductive elimination. 2. Reductive coupling of hydrogen-hydrogen, hydrogen-carbon, and carbon-carbon bonds from palladium and platinum complexes

inferredcites →https://doi.org/10.1021/om010072eopenalex-snapshot

Computational Study of Reductive Elimination Reactions to Form C−H Bonds from Platinum(II) and Platinum(IV) Centers with Strongly Coordinating Trimethylphosphine Ligands

inferredcites →https://doi.org/10.1021/om0101137openalex-snapshot

Formation of Palladium(0) Complexes from Pd(OAc)2 and a Bidentate Phosphine Ligand (dppp) and Their Reactivity in Oxidative Addition

inferredcites →https://doi.org/10.1021/om0202165openalex-snapshot

Structure, Bonding, and Stability of a Catalytica Platinum(II) Catalyst: A Computational Study

inferredcites →https://doi.org/10.1021/om020326bopenalex-snapshot

Density Functional Theory Studies of Titanium-Catalyzed Hydroboration of Olefins

inferredcites →https://doi.org/10.1021/om020901bopenalex-snapshot

Understanding the Reactivity Difference of Metal Boryl Complexes toward Alkanes and Arenes: A Density Functional Study on the Functionalizations of Methane and Benzene by CpM(CO)n(BO2C2H2) (M = Fe, Ru, W)

inferredcites →https://doi.org/10.1021/om0209834openalex-snapshot

Structural and Stability Studies of Titanocene Borane σ-Complexes

inferredcites →https://doi.org/10.1021/om950416zopenalex-snapshot

Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms. 9. Intermolecular versus Intramolecular Carbon−Hydrogen Bond Activation in Zirconium, Rhodium, and Iridium Complexes

inferredcites →https://doi.org/10.1021/om960860hopenalex-snapshot

Molecular Orbital Study of the Mechanism of Platinum(0)-Catalyzed Alkene and Alkyne Diboration Reactions

inferredcites →https://doi.org/10.1021/om970277gopenalex-snapshot

Why Do Pt(PR 3 ) 2 Complexes Catalyze the Alkyne Diboration Reaction, but Their Palladium Analogues Do Not? A Density Functional Study

inferredcites →https://doi.org/10.1021/om970705iopenalex-snapshot

A Theoretical Study of the C−H Activation of Methane Derivatives. Significant Effects of Electron-Withdrawing Substituents

inferredcites →https://doi.org/10.1021/om9709291openalex-snapshot

Electrophilic Methylplatinum Complexes: A Theoretical Study of the Mechanism of C−C and C−H Bond Formation and Activation

inferredcites →https://doi.org/10.1021/om990296lopenalex-snapshot

Theoretical Study of the Structure, Bonding Nature, and Reductive Elimination Reaction of Pd(XH3)(η3-C3H5)(PH3) (X = C, Si, Ge, Sn). Hypervalent Behavior of Group 14 Elements

inferredcites →https://doi.org/10.1021/om990461xopenalex-snapshot

Theoretical Study on σ-Bond Activation of (HO)2B−XH3 by M(PH3)2 (X = C, Si, Ge, or Sn; M = Pd or Pt). Noteworthy Contribution of the Boryl pπ Orbital to M−Boryl Bonding and Activation of the B−X σ-Bond

inferredcites →https://doi.org/10.1021/om9909946openalex-snapshot

Comparative Density Functional Study of Associative and Dissociative Mechanisms in the Rhodium(I)-Catalyzed Olefin Hydroboration Reactions

inferredcites →https://doi.org/10.1023/a:1008193805436openalex-snapshot

Molden: a pre- and post-processing program for molecular and electronic structures*

inferredcites →https://doi.org/10.1039/a605720iopenalex-snapshot

Oxidative addition of a C–H σ bond to M(PH3)2 (M = Pd or Pt). An ab initio molecular orbital study on the chelate phosphine effect

inferredcites →https://doi.org/10.1039/a607440eopenalex-snapshot

Lewis-base adducts of the diborane(4) compounds B2(1,2-E2C6H4)2 (E = O or S)

inferredcites →https://doi.org/10.1039/a827427zopenalex-snapshot

Variations on a theme—recent developments on the mechanism of the Heck reaction and their implications for synthesis

inferredcites →https://doi.org/10.1039/b006180hopenalex-snapshot

Theory predicts that the weaker π-accepting ligand diaminoborylene occupies the equatorial position in (OC)4Fe–B(NH2): theoretical study of (OC)4Fe–B(NH2) and (OC)4Fe–BH †

inferredcites →https://doi.org/10.1039/dt9760000993openalex-snapshot

Some square-planar alkoxo- and hydroxo-complexes of Group 8: preparation, bonding, and novel condensation reactions with active methyl compounds

inferredcites →https://doi.org/10.1055/s-1992-21315openalex-snapshot

Synthesis of Sterically Hindered Biaryls via the Palladium-Catalyzed Cross-Coupling Reaction of Arylboronic Acids or their Esters with Haloarenes

inferredcites →https://doi.org/10.1063/1.1674902openalex-snapshot

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

inferredcites →https://doi.org/10.1063/1.438955openalex-snapshot

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

inferredcites →https://doi.org/10.1063/1.448800openalex-snapshot

Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi

inferredcites →https://doi.org/10.1063/1.448975openalex-snapshot

Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

inferredcites →https://doi.org/10.1080/00268977400100171openalex-snapshot

Accuracy of AH n equilibrium geometries by single determinant molecular orbital theory

inferredcites →https://doi.org/10.1080/00397918108063618openalex-snapshot

The Palladium-Catalyzed Cross-Coupling Reaction of Phenylboronic Acid with Haloarenes in the Presence of Bases

inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot

Density-functional exchange-energy approximation with correct asymptotic behavior

inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

inferredcites →https://doi.org/10.1246/bcsj.60.3471openalex-snapshot

Stereoselective Synthesis of Conjugated Dienones via the Palladium-Catalyzed Cross-Coupling Reaction of 1-Alkenylboronates with 3-Halo-2-alken-1-ones

inferredcites →https://doi.org/10.1246/cl.1997.811openalex-snapshot

A Sequence of Palladium-Catalyzed Borylation of Allyl Acetates with Bis(pinacolato)diboron and Intramolecular Allylboration for the Cyclization of Oxo-2-alkenyl Acetates

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4846450openalex-extracted

Mechanistic Investigation and Machine Learning Exploration of Structure-Activity Relationship of Nhc-Mn Catalyzed the Ester Hydrosilylation Reaction

inferred← citeshttps://doi.org/10.1002/9781119044307.brefopenalex-snapshot

References

inferred← citeshttps://doi.org/10.1002/9783527346028.ch5openalex-snapshot

Theoretical Study of Pd ‐Catalysis

inferred← citeshttps://doi.org/10.1002/9783527621965.ch5openalex-snapshot

Mechanism of Palladium‐Catalyzed Cross‐Coupling Reactions

inferred← citeshttps://doi.org/10.1002/9783527655588.ch2openalex-snapshot

State‐of‐the‐Art in Metal‐Catalyzed Cross‐Coupling Reactions of Organoboron Compounds with Organic Electrophiles

inferred← citeshttps://doi.org/10.1002/adsc.200600312openalex-snapshot

A Density Functional Theory Study of the Stille Cross‐Coupling via Associative Transmetalation. The Role of Ligands and Coordinating Solvents

inferred← citeshttps://doi.org/10.1002/adsc.201701030openalex-snapshot

Recent Advances in C–B Bond Formation through a Free Radical Pathway

inferred← citeshttps://doi.org/10.1002/ange.200905824openalex-snapshot

Direct Conversion of Arylamines to Pinacol Boronates: A Metal‐Free Borylation Process

inferred← citeshttps://doi.org/10.1002/ange.201607355openalex-snapshot

Structure and Reaction Chemistry of Magnesium Organocuprates Derived from Magnesiacyclopentadienes and Copper(I) Salts

inferred← citeshttps://doi.org/10.1002/ange.201810145openalex-snapshot

Palladium‐Catalyzed Decarbonylative Borylation of Carboxylic Acids: Tuning Reaction Selectivity by Computation

inferred← citeshttps://doi.org/10.1002/ange.202502441openalex-snapshot

Late‐Stage Cross‐Electrophile Coupling of Arylthianthrenium Salts with (Hetero)aryl (Pseudo)halides via Palladium Catalysis

inferred← citeshttps://doi.org/10.1002/anie.200905824openalex-snapshot

Direct Conversion of Arylamines to Pinacol Boronates: A Metal‐Free Borylation Process

inferred← citeshttps://doi.org/10.1002/anie.201607355openalex-snapshot

Structure and Reaction Chemistry of Magnesium Organocuprates Derived from Magnesiacyclopentadienes and Copper(I) Salts

inferred← citeshttps://doi.org/10.1002/anie.201810145openalex-snapshot

Palladium‐Catalyzed Decarbonylative Borylation of Carboxylic Acids: Tuning Reaction Selectivity by Computation

inferred← citeshttps://doi.org/10.1002/anie.202502441openalex-snapshot

Late‐Stage Cross‐Electrophile Coupling of Arylthianthrenium Salts with (Hetero)aryl (Pseudo)halides via Palladium Catalysis

inferred← citeshttps://doi.org/10.1002/asia.201700313openalex-snapshot

Mechanism of Nickel‐Catalyzed Suzuki–Miyaura Coupling of Amides

inferred← citeshttps://doi.org/10.1002/asia.202300649openalex-snapshot

Recent Expedition in Pd‐ and Rh‐Catalyzed C(Ar)−B Bond Formations and Their Applications in Modern Organic Syntheses

inferred← citeshttps://doi.org/10.1002/bkcs.10823openalex-snapshot

A Density Functional Theory Study on the Ligand Substitution Mechanism of a Square Planar Pd Complex

inferred← citeshttps://doi.org/10.1002/cctc.201100056openalex-snapshot

A Theoretical Study of Hydrogen Transfer Catalyzed by an IrIII PC(sp3)P Pincer Complex

inferred← citeshttps://doi.org/10.1002/cctc.201402326openalex-snapshot

The Transmetalation Process in Suzuki–Miyaura Reactions: Calculations Indicate Lower Barrier via Boronate Intermediate

inferred← citeshttps://doi.org/10.1002/cctc.201600456openalex-snapshot

Base‐Free Palladium‐Catalyzed Borylation of Aryl Chlorides with Diborons

inferred← citeshttps://doi.org/10.1002/cctc.201701709openalex-snapshot

On the Generality of Molecular Volcano Plots

inferred← citeshttps://doi.org/10.1002/cctc.201701710openalex-snapshot

Improving the Thermodynamic Profiles of Prospective Suzuki–Miyaura Cross‐Coupling Catalysts by Altering the Electrophilic Coupling Component

inferred← citeshttps://doi.org/10.1002/chem.200800011openalex-snapshot

Density Functional Studies on Palladium‐Catalyzed Suzuki–Miyaura Cross‐Coupling Reactions Assisted by N‐ or P‐Chelating Ligands

inferred← citeshttps://doi.org/10.1002/chem.201103882openalex-snapshot

Theoretical Study on the Mechanism of Ni‐Catalyzed Alkyl–Alkyl Suzuki Cross‐Coupling

inferred← citeshttps://doi.org/10.1002/chem.201406680openalex-snapshot

Reaction Optimization, Scalability, and Mechanistic Insight on the Catalytic Enantioselective Desymmetrization of 1,1‐Diborylalkanes via Suzuki–Miyaura Cross‐Coupling

inferred← citeshttps://doi.org/10.1002/chem.201702703openalex-snapshot

A Combined Experimental/Computational Study of the Mechanism of a Palladium‐Catalyzed Bora‐Negishi Reaction

inferred← citeshttps://doi.org/10.1002/ejic.200900961openalex-snapshot

Mechanistic Studies on the Copper‐Catalyzed Hydrosilylation of Ketones

inferred← citeshttps://doi.org/10.1002/ejic.201100240openalex-snapshot

[Pd(L)Cl2]‐Catalyzed Selective Hydroxylation of Arylboronic Acids to Phenols

inferred← citeshttps://doi.org/10.1002/ejic.201700624openalex-snapshot

Competition between the Hydride Ligands of Two Types in Proton Transfer to [{κ3‐P‐CH3C(CH2CH2PPh2)3}RuH(η2‐BH4)]

inferred← citeshttps://doi.org/10.1002/jccs.201100342openalex-snapshot

Studies on Suzuki‐Miyaura Reactions Catalyzed by Ferrocenyl or Cobaltocenyl Phosphines Ligated Palladium Complexes

inferred← citeshttps://doi.org/10.1002/jccs.201100353openalex-snapshot

Studies on Suzuki‐Miyaura Reactions Catalyzed by Ferrocenyl or Cobaltocenyl Phosphines Ligated Palladium Complexes

inferred← citeshttps://doi.org/10.1002/poc.3279openalex-snapshot

Density functional theory study of methoxide promoted and Zn(II)‐complexed methoxide promoted cleavages of aryl‐ and alkyl acetates in methanol. Transition from concerted to stepwise processes as a function of leaving group ability

inferred← citeshttps://doi.org/10.1002/poc.3666openalex-snapshot

Theoretical insights into the regioselectivity of a Pictet-Spengler reaction: Transition state structures leading to salsolinol and isosalsolinol

inferred← citeshttps://doi.org/10.1002/tcr.200900019openalex-snapshot

Theoretical and computational studies of organometallic reactions: successful or not?

inferred← citeshttps://doi.org/10.1002/tcr.201600086openalex-snapshot

Cooperative Catalysis of Combined Systems of Transition‐Metal Complexes with Lewis Acids: Theoretical Understanding

inferred← citeshttps://doi.org/10.1007/978-3-030-54077-7_2openalex-snapshot

Diastereoselective Pd-Catalyzed Aryl Cyanation and Aryl Borylation

inferred← citeshttps://doi.org/10.1007/978-3-319-01490-6_2openalex-snapshot

Computational Methods

inferred← citeshttps://doi.org/10.1007/978-3-319-13054-5_7openalex-snapshot

At the Forefront of the Suzuki–Miyaura Reaction: Advances in Stereoselective Cross-Couplings

inferred← citeshttps://doi.org/10.1007/978-90-481-3817-3_3openalex-snapshot

Theoretical Evaluation of Phosphine Effects in Cross-Coupling Reactions

inferred← citeshttps://doi.org/10.1007/978-94-007-0923-2_11openalex-snapshot

Theoretical Study of σ-Bond Activation Reactions and Catalytic Reactions by Transition Metal Complexes

inferred← citeshttps://doi.org/10.1007/s00894-024-06225-3openalex-snapshot

On the prediction by density functional theory of entropies in solution within implicit solvation models

inferred← citeshttps://doi.org/10.1007/s00894-025-06424-6openalex-snapshot

A DFT study of the hydrolytic degradation mechanisms of iprovalicarb and iprodione: implications in environmental safety

inferred← citeshttps://doi.org/10.1007/s10822-017-0042-5openalex-snapshot

Molden 2.0: quantum chemistry meets proteins

inferred← citeshttps://doi.org/10.1016/b978-0-12-821978-2.00015-5openalex-snapshot

Density Functional Theory for Transition Metal Catalysis

inferred← citeshttps://doi.org/10.1016/b978-0-443-26596-9.00033-8openalex-snapshot

A hitchhiker guide to modeling homogeneous catalysis

inferred← citeshttps://doi.org/10.1016/j.comptc.2012.07.007openalex-snapshot

Hydrogen–deuterium exchange in hydride chemistry: Dihydrogen bonded complexes as key intermediates

inferred← citeshttps://doi.org/10.1016/j.cplett.2020.137143openalex-snapshot

Theoretical study on the reaction mechanism of imidazole-catalyzed phenol-epoxy ring-opening reaction and the evaluation of catalyst performance

inferred← citeshttps://doi.org/10.1016/j.jcat.2024.115664openalex-snapshot

Mechanistic investigation and machine learning exploration of structure-activity relationship of NHC-Mn catalyzed ester hydrosilylation reaction

inferred← citeshttps://doi.org/10.1016/j.jorganchem.2006.02.015openalex-snapshot

Computational study of the transmetalation process in the Suzuki–Miyaura cross-coupling of aryls

inferred← citeshttps://doi.org/10.1016/j.jorganchem.2009.02.011openalex-snapshot

In-depth insight into the electronic and steric effects of phosphine ligands on the mechanism of the R–R reductive elimination from (PR3)2PdR2

inferred← citeshttps://doi.org/10.1016/j.jorganchem.2012.03.008openalex-snapshot

Theoretical study on a new active species for the Pd(II)-catalyzed Mizoroki–Heck reaction

inferred← citeshttps://doi.org/10.1016/j.jorganchem.2016.02.007openalex-snapshot

Heteroatom-substituted secondary phosphine oxides for Suzuki-Miyaura cross-coupling reactions

inferred← citeshttps://doi.org/10.1016/j.jorganchem.2018.02.001openalex-snapshot

Mechanistic insights into asymmetric reductive coupling of isoquinolines by a chiral diboron with DFT calculations

inferred← citeshttps://doi.org/10.1016/j.mcat.2024.114043openalex-snapshot

Theoretical insights into Rh-catalyzed hydroamidation: Mechanism and chemoselectivity

inferred← citeshttps://doi.org/10.1016/j.molcata.2010.02.021openalex-snapshot

A computational study of phosphine ligand effects in Suzuki–Miyaura coupling☆

inferred← citeshttps://doi.org/10.1016/j.molcata.2010.03.003openalex-snapshot

A computational study of solution equilibria of platinum-based ethylene hydroamination catalytic species including solvation and counterion effects: Proper treatment of the free energy of solvation☆

inferred← citeshttps://doi.org/10.1016/j.poly.2012.07.042openalex-snapshot

Reactions of a tungsten alkylidyne complex with mono-dentate phosphines: Thermodynamic and theoretical studies

inferred← citeshttps://doi.org/10.1016/j.saa.2017.12.070openalex-snapshot

Investigation of the host-guest complexation between 4-sulfocalix[4]arene and nedaplatin for potential use in drug delivery

inferred← citeshttps://doi.org/10.1016/j.tet.2014.02.011openalex-snapshot

Calculated linear free energy relationships in the course of the Suzuki–Miyaura coupling reaction

inferred← citeshttps://doi.org/10.1016/j.tetlet.2021.153478openalex-snapshot

Synthesis of arylboronates via the Pd-catalyzed desulfitative coupling reaction of sodium arylsulfinates with bis(pinacolato)diboron

inferred← citeshttps://doi.org/10.1021/acs.accounts.0c00395openalex-snapshot

Palladium-Catalyzed Regioselective and Stereospecific Ring-Opening Cross-Coupling of Aziridines: Experimental and Computational Studies

inferred← citeshttps://doi.org/10.1021/acs.chemrev.1c00417openalex-snapshot

Inorganometallics (Transition Metal–Metalloid Complexes) and Catalysis

inferred← citeshttps://doi.org/10.1021/acs.chemrev.2c00204openalex-snapshot

Emerging Trends in Cross-Coupling: Twelve-Electron-Based L 1 Pd(0) Catalysts, Their Mechanism of Action, and Selected Applications

inferred← citeshttps://doi.org/10.1021/acs.chemrev.6b00193openalex-snapshot

Diboron(4) Compounds: From Structural Curiosity to Synthetic Workhorse

inferred← citeshttps://doi.org/10.1021/acs.inorgchem.6c02922openalex-snapshot

Palladium-Catalyzed Cross-Coupling of Iodocarboranes with B2pin2

inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00848openalex-snapshot

Calculating Entropies of Large Molecules in Aqueous Phase

inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00214openalex-snapshot

Solvation Entropy Made Simple

inferred← citeshttps://doi.org/10.1021/acs.joc.6b01420openalex-snapshot

Computational Mechanistic Study of Thionation of Carbonyl Compounds with Lawesson’s Reagent

inferred← citeshttps://doi.org/10.1021/acs.joc.6b02642openalex-snapshot

A Ligand-Dissociation-Involved Mechanism in Amide Formation of Monofluoroacylboronates with Hydroxylamines

inferred← citeshttps://doi.org/10.1021/acs.joc.8b01807openalex-snapshot

Mechanistic Insights into the Nickel-Catalyzed Cross-Coupling Reaction of Benzaldehyde with Benzyl Alcohol via C–H Activation: A Theoretical Investigation

inferred← citeshttps://doi.org/10.1021/acs.jpca.5b01921openalex-snapshot

Dihydrogen Bond Intermediated Alcoholysis of Dimethylamine–Borane in Nonaqueous Media

inferred← citeshttps://doi.org/10.1021/acs.jpca.7b11580openalex-snapshot

Calculation of Reaction Free Energies in Solution: A Comparison of Current Approaches

inferred← citeshttps://doi.org/10.1021/acs.jpclett.7b03180openalex-snapshot

Is Subsurface Oxygen Necessary for the Electrochemical Reduction of CO 2 on Copper?

inferred← citeshttps://doi.org/10.1021/acs.organomet.3c00234openalex-snapshot

Heterolytic versus Homolytic: Theoretical Insight into the Ni0-Catalyzed Ph–F Bond Activation

inferred← citeshttps://doi.org/10.1021/acs.organomet.7b00058openalex-snapshot

Copper-Catalyzed Borylstannylation of Alkynes with Tin Fluorides

inferred← citeshttps://doi.org/10.1021/acs.orglett.8b00545openalex-snapshot

Direct Borylation of Tertiary Anilines via C–N Bond Activation

inferred← citeshttps://doi.org/10.1021/acscatal.0c05092openalex-snapshot

Resolving Deactivation Pathways of Co Porphyrin-Based Electrocatalysts for CO2 Reduction in Aqueous Medium

inferred← citeshttps://doi.org/10.1021/acscatal.4c05093openalex-snapshot

Insight into Roles of Rare-Earth Metals in Heterobimetallic Ni–Y Bifunctional Catalysis for Alkyne Semihydrogenation

inferred← citeshttps://doi.org/10.1021/acscatal.7b01415openalex-snapshot

A Generalized Picture of C–C Cross-Coupling

inferred← citeshttps://doi.org/10.1021/acscatal.7b03477openalex-snapshot

Mechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products

inferred← citeshttps://doi.org/10.1021/acscatal.8b00230openalex-snapshot

Designing Pd and Ni Catalysts for Cross-Coupling Reactions by Minimizing Off-Cycle Species

inferred← citeshttps://doi.org/10.1021/acscatal.8b03146openalex-snapshot

Cobalt Pincer Complexes in Catalytic C–H Borylation: The Pincer Ligand Flips Rather Than Dearomatizes

inferred← citeshttps://doi.org/10.1021/acscatal.9b01191openalex-snapshot

Computational Study on the Mechanism and Origin of the Regioselectivity and Stereospecificity in Pd/SIPr-Catalyzed Ring-Opening Cross-Coupling of 2-Arylaziridines with Arylboronic Acids

inferred← citeshttps://doi.org/10.1021/acscatal.9b02952openalex-snapshot

Metallalkenyl, Metallacyclopropene, or Metallallylcarbenoid? Ru-Catalyzed Annulation between Benzoic Acid and Alkyne

inferred← citeshttps://doi.org/10.1021/cs300028yopenalex-snapshot

Iron-Catalyzed Direct Suzuki–Miyaura Reaction: Theoretical and Experimental Studies on the Mechanism and the Regioselectivity

inferred← citeshttps://doi.org/10.1021/ic202598copenalex-snapshot

Dimerization Mechanism of Bis(triphenylphosphine)copper(I) Tetrahydroborate: Proton Transfer via a Dihydrogen Bond

inferred← citeshttps://doi.org/10.1021/ic502463yopenalex-snapshot

Heterolytic Activation of Dihydrogen Molecule by Hydroxo-/Sulfido-Bridged Ruthenium–Germanium Dinuclear Complex. Theoretical Insights

inferred← citeshttps://doi.org/10.1021/ic502832jopenalex-snapshot

New Ruthenium Nitrosyl Pincer Complexes Bearing an O2Ligand. Mono-Oxygen Transfer

inferred← citeshttps://doi.org/10.1021/ic502937aopenalex-snapshot

Mechanistic Implications in the Phosphatase Activity of Mannich-Based Dinuclear Zinc Complexes with Theoretical Modeling

inferred← citeshttps://doi.org/10.1021/ja050583iopenalex-snapshot

Computational Characterization of the Role of the Base in the Suzuki−Miyaura Cross-Coupling Reaction

inferred← citeshttps://doi.org/10.1021/ja056165vopenalex-snapshot

Proton Abstraction Mechanism for the Palladium-Catalyzed Intramolecular Arylation

inferred← citeshttps://doi.org/10.1021/ja061543xopenalex-snapshot

The Mechanism of the Phosphine-Free Palladium-Catalyzed Hydroarylation of Alkynes

inferred← citeshttps://doi.org/10.1021/ja0635736openalex-snapshot

A Critical Analysis of the Cyclic and Open Alternatives of the Transmetalation Step in the Stille Cross-Coupling Reaction

inferred← citeshttps://doi.org/10.1021/ja0646747openalex-snapshot

Palladium-Catalyzed Alkylation of sp2 and sp3 C−H Bonds with Methylboroxine and Alkylboronic Acids: Two Distinct C−H Activation Pathways

inferred← citeshttps://doi.org/10.1021/ja073747zopenalex-snapshot

Insights into Amine Binding to Biaryl Phosphine Palladium Oxidative Addition Complexes and Reductive Elimination from Biaryl Phosphine Arylpalladium Amido Complexes via Density Functional Theory

inferred← citeshttps://doi.org/10.1021/ja107144copenalex-snapshot

Mechanistic and Computational Study of a Palladacycle-Catalyzed Decomposition of a Series of Neutral Phosphorothioate Triesters in Methanol

inferred← citeshttps://doi.org/10.1021/ja200398copenalex-snapshot

Suzuki−Miyaura Cross-Coupling of Aryl Carbamates and Sulfamates: Experimental and Computational Studies

inferred← citeshttps://doi.org/10.1021/ja4088264openalex-snapshot

DFT Computational Study of the Methanolytic Cleavage of DNA and RNA Phosphodiester Models Promoted by the Dinuclear Zn(II) Complex of 1,3-Bis(1,5,9-triazacyclododec-1-yl)propane

inferred← citeshttps://doi.org/10.1021/ja507675fopenalex-snapshot

Reaction Mechanism of the Anomalous Formal Nucleophilic Borylation of Organic Halides with Silylborane: Combined Theoretical and Experimental Studies

inferred← citeshttps://doi.org/10.1021/ja5112749openalex-snapshot

Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions

inferred← citeshttps://doi.org/10.1021/ja801362eopenalex-snapshot

Why Does Fluoride Anion Accelerate Transmetalation between Vinylsilane and Palladium(II)−Vinyl Complex? Theoretical Study

inferred← citeshttps://doi.org/10.1021/ja810157eopenalex-snapshot

Mechanism of Ni-Catalyzed Selective C−O Bond Activation in Cross-Coupling of Aryl Esters

inferred← citeshttps://doi.org/10.1021/ja9007134openalex-snapshot

Subtle Balance of Ligand Steric Effects in Stille Transmetalation

inferred← citeshttps://doi.org/10.1021/jacs.6b13384openalex-snapshot

Structural, Kinetic, and Computational Characterization of the Elusive Arylpalladium(II)boronate Complexes in the Suzuki–Miyaura Reaction

inferred← citeshttps://doi.org/10.1021/jacs.7b04383openalex-snapshot

How to Control Inversion vs Retention Transmetalation between PdII–Phenyl and CuI–Alkyl Complexes: Theoretical Insight

inferred← citeshttps://doi.org/10.1021/jacs.8b06984openalex-snapshot

Mixed Explicit–Implicit Solvation Approach for Modeling of Alkane Complexation in Water-Soluble Self-Assembled Capsules

inferred← citeshttps://doi.org/10.1021/jacs.8b13679openalex-snapshot

Rational Design of Efficient Amine Reductant Initiators for Amine–Peroxide Redox Polymerization

inferred← citeshttps://doi.org/10.1021/jacs.9b08961openalex-snapshot

Mechanism and Scope of Nickel-Catalyzed Decarbonylative Borylation of Carboxylic Acid Fluorides

inferred← citeshttps://doi.org/10.1021/jo100558popenalex-snapshot

Competing Thermal Electrocyclic Ring-Closure Reactions of (2Z)-Hexa-2,4,5-trienals and Their Schiff Bases. Structural, Kinetic, and Computational Studies

inferred← citeshttps://doi.org/10.1021/jo8010254openalex-snapshot

Studies on the Mechanism of Allylic Coupling Reactions: A Hammett Analysis of the Coupling of Aryl Silicate Derivatives

inferred← citeshttps://doi.org/10.1021/jp200329jopenalex-snapshot

Density Functional Theory Analysis of Dichloromethane and Hydrogen Interaction with Pd Clusters: First Step to Simulate Catalytic Hydrodechlorination

inferred← citeshttps://doi.org/10.1021/ol701604gopenalex-snapshot

New Cascade Processes on Group 6 Fischer-Type Carbene Complexes: Cyclopropanation and Metathesis Reactions

inferred← citeshttps://doi.org/10.1021/om049156oopenalex-snapshot

Can Steric Effects Induce the Mechanism Switch in the Rhodium-Catalyzed Imine Boration Reaction? A Density Functional and ONIOM Study

inferred← citeshttps://doi.org/10.1021/om050023sopenalex-snapshot

Theoretical Studies of Oxidative Addition of E−E Bonds (E = S, Se, Te) to Palladium(0) and Platinum(0) Complexes

inferred← citeshttps://doi.org/10.1021/om060126qopenalex-snapshot

Theoretical Evidence for Low-Ligated Palladium(0): [Pd−L] as the Active Species in Oxidative Addition Reactions

inferred← citeshttps://doi.org/10.1021/om060307sopenalex-snapshot

Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid. Theoretical Study of Significant Acceleration by Water Molecules

inferred← citeshttps://doi.org/10.1021/om060380iopenalex-snapshot

A DFT Study of the Full Catalytic Cycle of the Suzuki−Miyaura Cross-Coupling on a Model System

inferred← citeshttps://doi.org/10.1021/om0604932openalex-snapshot

Oxidative Addition of Aryl Chlorides to Monoligated Palladium(0): A DFT-SCRF Study

inferred← citeshttps://doi.org/10.1021/om0607705openalex-snapshot

Effect of the Leaving Ligand X on Transmetalation of Organostannanes (vinylSnR3) with LnPd(Ar)(X) in Stille Cross-Coupling Reactions. A Density Functional Theory Study

inferred← citeshttps://doi.org/10.1021/om100153zopenalex-snapshot

Synthesis and Catalytic Reactivity of Bis(alkylzinc)-hydride-di(2-pyridylmethyl)amides

inferred← citeshttps://doi.org/10.1021/om100338sopenalex-snapshot

Synthesis of Dinuclear Zinc Alkynyls and Their Use in Catalytic Silicon−Carbon Bond Formation

inferred← citeshttps://doi.org/10.1021/om1005512openalex-snapshot

Insight into the Mechanism of R−R Reductive Elimination from the Six-Coordinate d6 Complexes L2Pt(R)4 (R = vinyl, Me)

inferred← citeshttps://doi.org/10.1021/om401141ropenalex-snapshot

Density Functional Theory Study of the Mechanisms of Iron-Catalyzed Aminohydroxylation Reactions

inferred← citeshttps://doi.org/10.1021/om500308gopenalex-snapshot

Conformational Flexibility of Dibenzobarrelene-Based PC(sp3)P Pincer Iridium Hydride Complexes: The Role of Hemilabile Functional Groups and External Coordinating Solvents

inferred← citeshttps://doi.org/10.1021/om500799dopenalex-snapshot

Origin of Regioselectivity in the Copper-Catalyzed Borylation Reactions of Internal Aryl Alkynes with Bis(pinacolato)diboron

inferred← citeshttps://doi.org/10.1021/om700999wopenalex-snapshot

Understanding the Higher Reactivity of B2cat2versus B2pin2in Copper(I)-Catalyzed Alkene Diboration Reactions

inferred← citeshttps://doi.org/10.1021/om701267ropenalex-snapshot

Associative Transmetalation in the Stille Cross-Coupling Reaction to Form Dienes: Theoretical Insights into the Open Pathway

inferred← citeshttps://doi.org/10.1021/om800381qopenalex-snapshot

Cascade Reactions of Dialkynyl Fischer Carbene Complexes Involving Intramolecular Alkyne Insertions Oriented to the Synthesis of Functionalized Polycycles

inferred← citeshttps://doi.org/10.1021/om8006163openalex-snapshot

How to Stabilize η3-Silapropargyl/Alkynylsilyl Complex of [CpL2M]+(L = CO, PMe3, or PF3 and M = W or Mo): Theoretical Prediction

inferred← citeshttps://doi.org/10.1021/om800772gopenalex-snapshot

Theoretical Analysis of the Catalytic Cycle of a Nickel Cross-Coupling Process: Application of the Energetic Span Model

inferred← citeshttps://doi.org/10.1021/om800832ropenalex-snapshot

γ-Selective Cross-Coupling Reactions of Potassium Allyltrifluoroborates with Haloarenes Catalyzed by a Pd(0)/D-t-BPF or Pd(0)/Josiphos ((R,S)-CyPF-t-Bu) Complex: Mechanistic Studies on Transmetalation and Enantioselection

inferred← citeshttps://doi.org/10.1021/om900196eopenalex-snapshot

Computational Study of C−C Coupling on Diruthenium Bis(μ-vinyl) Ethylene π-Complex

inferred← citeshttps://doi.org/10.1021/om9002494openalex-snapshot

Platinum-Catalyzed Ethylene Hydroamination with Aniline: Synthesis, Characterization, and Studies of Intermediates

inferred← citeshttps://doi.org/10.1021/op300236fopenalex-snapshot

Ni- and Fe-Catalyzed Cross-Coupling Reactions of Phenol Derivatives

inferred← citeshttps://doi.org/10.1039/b612235copenalex-snapshot

Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARβ/δ agonists

inferred← citeshttps://doi.org/10.1039/c0ob01046dopenalex-snapshot

Titanium-mediated rearrangement of cyclopropenylmethyl acetates to (E)-halodienes

inferred← citeshttps://doi.org/10.1039/c1dt10233hopenalex-snapshot

Density functional studies on diimine chelated palladium complex catalyzed Suzuki–Miyaura cross-coupling reaction: the impact of Lewis base employed in transmetallation process

inferred← citeshttps://doi.org/10.1039/c3cp52383gopenalex-snapshot

trans effect and trans influence: importance of metal mediated ligand–ligand repulsion

inferred← citeshttps://doi.org/10.1039/c3ra22905jopenalex-snapshot

A decade advancement of transition metal-catalyzed borylation of aryl halides and sulfonates

inferred← citeshttps://doi.org/10.1039/c5dt03949eopenalex-snapshot

Hydrolysis mechanisms of BNPP mediated by facial copper( ii ) complexes bearing single alkyl guanidine pendants: cooperation between the metal centers and the guanidine pendants

inferred← citeshttps://doi.org/10.1039/c6dt01104gopenalex-snapshot

Two pathways of proton transfer reaction to (triphos)Cu(η 1 -BH 4 ) via a dihydrogen bond [triphos = 1,1,1-tris(diphenylphosphinomethyl)ethane]

inferred← citeshttps://doi.org/10.1039/c6ob02369jopenalex-snapshot

Formal nucleophilic borylation and borylative cyclization of organic halides

inferred← citeshttps://doi.org/10.1039/c7cc02420gopenalex-snapshot

A convenient and clean synthetic method for borasiloxanes by Pd-catalysed reaction of silanols with diborons

inferred← citeshttps://doi.org/10.1039/c7dt02532gopenalex-snapshot

Why different ligands can control stereochemistry selectivity of Ni-catalyzed Suzuki–Miyaura cross-coupling of benzylic carbamates with arylboronic esters: a mechanistic study

inferred← citeshttps://doi.org/10.1039/c8cp01963kopenalex-snapshot

Reaction mechanism of the selective reduction of CO 2 to CO by a tetraaza [Co II N 4 H] 2+ complex in the presence of protons

inferred← citeshttps://doi.org/10.1039/c8cp07270aopenalex-snapshot

Theoretical analysis of glyoxal condensation with ammonia in aqueous solution

inferred← citeshttps://doi.org/10.1039/c9cy01285kopenalex-snapshot

Entropic corrections for the evaluation of the catalytic activity in the Al( iii ) catalysed formation of cyclic carbonates from CO 2 and epoxides

inferred← citeshttps://doi.org/10.1039/c9sc03169copenalex-snapshot

Palladium-catalyzed decarbonylative Suzuki–Miyaura cross-coupling of amides by carbon–nitrogen bond activation

inferred← citeshttps://doi.org/10.1039/d2cp04720aopenalex-snapshot

DFT calculations in solution systems: solvation energy, dispersion energy and entropy

inferred← citeshttps://doi.org/10.1039/d3cp00970jopenalex-snapshot

The entropic penalty for associative reactions and their physical treatment during routine computations

inferred← citeshttps://doi.org/10.1039/d3sc05791gopenalex-snapshot

Understanding ion-transfer reactions in silver electrodissolution and electrodeposition from first-principles calculations and experiments

inferred← citeshttps://doi.org/10.1055/sos-sd-230-00002openalex-snapshot

2 Mechanistic Aspects of Carbon—Boron Bond Formation

inferred← citeshttps://doi.org/10.1139/cjc-2013-0270openalex-snapshot

A mechanistic study of the [La2(OCH3)2]4+- and [(1,5,9-triazacyclodo-decane):Zn:(OCH3)]+-catalyzed methanolysis of carbonates: possible application for the recycling of bisphenol A polycarbonates

inferred← citeshttps://doi.org/10.1246/bcsj.20150119openalex-snapshot

Theoretical and Computational Study of a Complex System Consisting of Transition Metal Element(s): How to Understand and Predict Its Geometry, Bonding Nature, Molecular Property, and Reaction Behavior

inferred← citeshttps://doi.org/10.1246/bcsj.78.2188openalex-snapshot

Nickel-Catalyzed Dimerization of [5]Cumulenes (Hexapentaenes)

inferred← citeshttps://doi.org/10.1246/cl.131161openalex-snapshot

Silica-supported Tripod Triarylphosphines: Application to Palladium-catalyzed Borylation of Chloroarenes

inferred← citeshttps://doi.org/10.3390/cryst7100318openalex-snapshot

Binuclear Copper(I) Borohydride Complex Containing Bridging Bis(diphenylphosphino) Methane Ligands: Polymorphic Structures of [(µ2-dppm)2Cu2(η2-BH4)2] Dichloromethane Solvate

inferred← citeshttps://doi.org/10.3390/molecules28020694openalex-snapshot

Theoretical Study of the Reaction Mechanism of Phenol–Epoxy Ring-Opening Reaction Using a Latent Hardening Accelerator and a Reactivity Evaluation by Substituents

inferred← citeshttps://doi.org/10.5012/bkcs.2008.29.10.1920openalex-snapshot

Density Functional Study on the C-H Bond Cleavage of Aldimine by a Rhodium(I) Catalyst

inferred← citeshttps://doi.org/10.70675/cb0fe740z3793z489fz8fd6z6f36bc3c0fd0openalex-snapshot

Experimental and theoretical mechanistic studies of transition-metal free and copper-catalyzed reactions

Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.