Related references
Note: Only part of the references are listed.The cascade unzipping of ladderane reveals dynamic effects in mechanochemistry
Zhixing Chen et al.
NATURE CHEMISTRY (2020)
Construction of Two-Dimensional Potential Energy Surfaces of Reactions with Post-Transition-State Bifurcations
Hsiao-Han Chuang et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
On the Nature of C(sp3)-C(sp2) Bond Formation in Nickel-Catalyzed Tertiary Radical Cross-Couplings: A Case Study of Ni/Photoredox Catalytic Cross-Coupling of Alkyl Radicals and Aryl Halides
Mingbin Yuan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Solvation Dynamics and the Nature of Reaction Barriers and Ion-Pair Intermediates in Carbocation Reactions
Vladislav A. Roytman et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Multiconfigurational Calculations and Nonadiabatic Molecular Dynamics Explain Tricyclooctadiene Photochemical Chemoselectivity
Jingbai Li et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2020)
Experiments and Direct Dynamics Simulations That Probe η2-Arene/Aryl Hydride Equilibria of Tungsten Benzene Complexes
Jacob A. Smith et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Bouncing off walls - widths of exit channels from shallow minima can dominate selectivity control
Mengna Bai et al.
CHEMICAL SCIENCE (2020)
Enzyme-Catalyzed Inverse-Electron Demand Diels-Alder Reaction in the Biosynthesis of Antifungal Ilicicolin H
Zhuan Zhang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Re-Evaluating the Transition State for Reactions in Solution
Rafael Garcia-Meseguer et al.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (2019)
Designing Reactions with Post-Transition-State Bifurcations: Asynchronous Nitrene Insertions into C-C σ Bonds
Renan B. Campos et al.
CHEM (2019)
Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices
Stephanie Hare et al.
CHEMICAL SCIENCE (2019)
Examining the Role of Discomfort in Collegiate Learning and Development
Kari B. Taylor et al.
JOURNAL OF COLLEGE STUDENT DEVELOPMENT (2019)
Ab Initio Nonadiabatic Quantum Molecular Dynamics
Basile F. E. Curchod et al.
CHEMICAL REVIEWS (2018)
Unified Mechanistic Understandings of Pictet-Spengler Reactions
Chao Zheng et al.
CHEM (2018)
Gold(I)-Catalyzed Intramolecular Diels-Alder Reaction: Evolution of Trappable Intermediates via Asynchronous Transition States
Nilangshu Mandal et al.
JOURNAL OF ORGANIC CHEMISTRY (2018)
Ultrafast Elementary Photochemical Processes of Organic Molecules in Liquid Solution
Tatu Kumpulainen et al.
CHEMICAL REVIEWS (2017)
Navigating Past a Fork in the Road: Carbocation-π Interactions Can Manipulate Dynamic Behavior of Reactions Facing Post-Transition-State Bifurcations
Stephanie R. Hare et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Failure and Redemption of Statistical and Nonstatistical Rate Theories in the Hydroboration of Alkenes
Johnathan O. Bailey et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Perspective: chemical dynamics simulations of non-statistical reaction dynamics
Xinyou Ma et al.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2017)
Post-transition state bifurcations gain momentum - current state of the field
Stephanie R. Hare et al.
PURE AND APPLIED CHEMISTRY (2017)
Stereodivergent, Diels-Alder-initiated organocascades employing α,β-unsaturated acylammonium salts: scope, mechanism, and application
Mikail E. Abbasov et al.
CHEMICAL SCIENCE (2017)
Cryptic post-transition state bifurcations that reduce the efficiency of lactone-forming Rh-carbenoid C-H insertions
Stephanie R. Hare et al.
CHEMICAL SCIENCE (2017)
Variational transition state theory: theoretical framework and recent developments
Junwei Lucas Bao et al.
CHEMICAL SOCIETY REVIEWS (2017)
Importance of Inherent Substrate Reactivity in Enzyme-Promoted Carbocation Cyclization/Rearrangements
Dean J. Tantillo
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)
Rich Athermal Ground-State Chemistry Triggered by Dynamics through a Conical Intersection
Benoit Mignolet et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
The Study of Reactive Intermediates in Condensed Phases
Barry K. Carpenter et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Dynamics and the Regiochemistry of Nitration of Toluene
Yexenia Nieves-Quinones et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
The 9-homocubyl cation rearrangement revisited
Said Jalife et al.
CHEMICAL COMMUNICATIONS (2015)
The ONIOM Method and Its Applications
Lung Wa Chung et al.
CHEMICAL REVIEWS (2015)
A Case Study of the Mechanism of Alcohol-Mediated Morita Baylis-Hillman Reactions. The Importance of Experimental Observations
R. Erik Plata et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Intrinsic Reaction Coordinate: Calculation, Bifurcation, and Automated Search
Satoshi Maeda et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2015)
Diels-Alder Reactions of Allene with Benzene and Butadiene: Concerted, Stepwise, and Ambimodal Transition States
Hung V. Pham et al.
JOURNAL OF ORGANIC CHEMISTRY (2014)
Biosynthetic consequences of multiple sequential post-transition-state bifurcations
Young Joo Hong et al.
NATURE CHEMISTRY (2014)
The Cation-π Interaction
Dennis A. Dougherty
ACCOUNTS OF CHEMICAL RESEARCH (2013)
Solvent-Dependent Enantiodivergence in the Chlorocyclization of Unsaturated Carbamates
Atefeh Garzan et al.
CHEMISTRY-A EUROPEAN JOURNAL (2013)
Gas-Phase Chemical Dynamics Simulations on the Bifurcating Pathway of the Pimaradienyl Cation Rearrangement: Role of Enzymatic Steering in Abietic Acid Biosynthesis
Matthew R. Siebert et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Rethinking the term pi-stacking
Chelsea R. Martinez et al.
CHEMICAL SCIENCE (2012)
The Need for Enzymatic Steering in Abietic Acid Biosynthesis: Gas-Phase Chemical Dynamics Simulations of Carbocation Rearrangements on a Bifurcating Potential Energy Surface
Matthew R. Siebert et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Entropy-Controlled Catalytic Asymmetric 1,4-Type Friedel-Crafts Reaction of Phenols Using Conformationally Flexible Guanidine/Bisthiourea Organocatalyst
Yoshihiro Sohtome et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Phase Space Prediction of Product Branching Ratios: Canonical Competitive Nonstatistical Model
Jingjing Zheng et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates
Carsten Stegelmann et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
A potential energy surface bifurcation in terpene biosynthesis
Young J. Hong et al.
NATURE CHEMISTRY (2009)
Bifurcations on potential energy surfaces of organic reactions
Daniel H. Ess et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Classical trajectory simulations of post-transition state dynamics
Upakarasamy Lourderaj et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2008)
Dynamic effects on the periselectivity, rate, isotope effects, and mechanism of cycloadditions of ketenes with cyclopentadiene
Bryson R. Ussing et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Introductory lecture: Nonadiabatic effects in chemical dynamics
AW Jasper et al.
FARADAY DISCUSSIONS (2004)
Interactions with aromatic rings in chemical and biological recognition
EA Meyer et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2003)
Binding affinities of host-guest, protein-ligand, and protein-transition-state complexes
KN Houk et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2003)
An unexpected bispericyclic transition structure leading to 4+2 and 2+4 cycloadducts in the endo dimerization of cyclopentadiene
P Caramella et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Entropy-controlled selectivity in the vinylation of a cyclic chiral nitrone. An efficient route to enantiopure polyhydroxylated pyrrolidines
M Lombardo et al.
JOURNAL OF ORGANIC CHEMISTRY (2001)
Temperature-independent stereocontrolled [2+2] cycloaddition. Potential of the 2,4-pentanediol tether in asymmetric reactions as a differential activation entropy promoter
T Sugimura et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Prediction of properties from simulations: Free energies of solvation in hexadecane, octanol, and water
EM Duffy et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Share Paper
