Kinetic isotope effects calculated with the instanton method

Related Experiment Video

Updated: May 29, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

Jan Meisner1, Judith B Rommel, Johannes Kästner

  • 1Computational Biochemistry Group, Institute of Theoretical Chemistry, University of Stuttgart, Germany.

Journal of Computational Chemistry
|September 8, 2011
PubMed

More Related Videos

Preparing an Isotopically Pure 229Th Ion Beam for Studies of 229mTh10:42

Preparing an Isotopically Pure 229Th Ion Beam for Studies of 229mTh

Published on: May 3, 2019

Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry16:11

Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry

Published on: June 8, 2022

Related Concept Videos

Mass Spectrometry: Isotope Effect01:13

Mass Spectrometry: Isotope Effect

Most elements exist in nature as a mixture of isotopes. The isotopes differ in weight due to their respective number of neutrons. The molecular weight of a molecule is different depending on the specific isotope of its elements involved. As a result, the mass spectrum of the molecule exhibits peaks from the same fragment at multiple positions. The positions of these mass signals depend on the mass differences between isotopes. Furthermore, the intensity of these signals is dependent on the...
Kinetic Energy for a Rigid Body01:13

Kinetic Energy for a Rigid Body

Imagine a solid object involved in a general planar movement, with its center of mass pinpointed at a spot labeled G. The object's kinetic energy relative to an arbitrary point A can be quantified for each of its particles - the ith particle in this case. This measurement is achieved through the employment of the relative velocity definition. The position vector, known as rA, extends from point A to the mass element i.
Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
Moment of Inertia01:14

Moment of Inertia

The comparability between linear and angular velocities, linear and angular accelerations, and the kinematic equations of translational and rotational motion can be extended to the concept of inertia.
If a rigid body is rotating about an axis but is not in translational motion, its translational kinetic energy is zero. However, since each particle undergoes rotational motion, it possesses non-zero velocity and kinetic energy. Thus, the kinetic energy of the rigid body, which is the sum of the...
Instantaneous Velocity - I01:15

Instantaneous Velocity - I

The average velocity during a time interval cannot tell us how fast or in what direction a particle is moving at any given time during the interval. To calculate this, it is important to know the instantaneous velocity, which is the velocity at a specific instant of time or at a specific point along the path. Instantaneous velocity is the quantity that measures how fast an object is moving along its path. In other words, the instantaneous velocity vx of an object is the limit of the average...
Isotopes01:12

Isotopes

Elements have a set number of protons that determines their atomic number (Z). For example, all atoms with eight protons are oxygen; however, the number of neutrons can vary for atoms of the same element. The sum of the number of protons and the number of neutrons is the mass number (A). Atoms with the same atomic number but different mass numbers are called isotopes. Elements can have multiple isotopes, for example, carbon-12, carbon-13, and carbon-14.
An element's atomic mass, or weight, is a...