Results 351 to 360 of about 2,372,774 (365)

Excited-state intramolecular proton-transfer (ESIPT) based fluorescence sensors and imaging agents

Chemical Society Reviews, 2018
Adam Charles Sedgwick, Luling Wu, Hai-Hao Han   +2 more
exaly  

The relationship between proximity and reactivity. An ab initio study of the flexibility of the OH.bul. + CH4 hydrogen abstraction transition state and a force-field model for the transition states of intramolecular hydrogen abstractions

, 1988
Andrea E. Dorigo, K. N. Houk
openalex   +1 more source

Urey-Bradley force field, valence force field, and ab initio study of intramolecular forces in tri-tert-butylmethane and isobutane

Journal of the American Chemical Society, 1979
Arnold T. Hagler, Peter S. Stern, Shneior Lifson, Sara Ariel   +3 more
openaire   +1 more source

Coulomb Force and Intramolecular Energy Flow Effects for Vibrational Energy Transfer for Small Molecules in Polar Solvents

, 2001
Rossend Rey, James T. Hynes
openalex   +1 more source

Intramolecular Vibrational Force Fields for Linear Carbon Chains through an Adaptative Linear Scaling Scheme

, 2007
Matteo Tommasini, Daniele Fazzi, Alberto Milani, M. Del Zoppo, Chiara Castiglioni, G. Zerbi   +5 more
openalex   +1 more source

The Inclusion of Intramolecular Tension in Certain Simple Valence Force Fields***

Zeitschrift für Physikalische Chemie, 1962
D. E. Freeman, M. Kent Wilson
openaire   +1 more source

First-Principle Molecular Dynamics Study of Selected Schiff and Mannich Bases:  Application of Two-Dimensional Potential of Mean Force to Systems with Strong Intramolecular Hydrogen Bonds

, 2008
Aneta Jezierska, Jarosław J. Panek
openalex   +1 more source

Empirical force field models for the transition states of intramolecular Diels-Alder reactions based upon ab initio transition structures

, 1992
Laura Raimondi, Frank K. Brown, Javier González, K. N. Houk   +3 more
openalex   +1 more source

Intramolecular bonding by Van der Waals forces.

Experientia, 2007
openaire   +1 more source

An ab initio molecular orbital study of intramolecular hydrogen bonding in ortho‐substituted arylamides: Implications for the parameterization of molecular mechanics force fields

, 2011
Zhiwei Liu, Alexey Teslja, Vojislava Pophristic   +2 more
openalex   +1 more source