Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Constitutional Isomers of Alkanes

Constitutional Isomers of Alkanes

Organic compounds of the same molecular formula can have different structural formulas called constitutional isomers, and the phenomenon is known as constitutional isomerism. Alkanes with four or more carbons showing multiple structures with the same molecular formula thereby exhibit constitutional isomerism.
The linear isomer of an alkane is prefixed by the term “n”; hence a linear isomer of pentane is known as n-pentane. Based on the type of branching, some of the...

Fischer Projections

Fischer Projections

Learning to draw Fischer projections of molecules and understanding their relevance plays a crucial role in the visual depiction of organic molecules. A Fischer projection is a two-dimensional projection on a planar surface to simplify the three-dimensional wedge–dash representation of molecules. This is especially helpful in the case of molecules with multiple chiral centers that can be difficult to draw. Here, all the bonds of interest are represented as horizontal or vertical lines. While...

Nuclear Stability

Nuclear Stability

Protons and neutrons, collectively called nucleons, are packed together tightly in a nucleus. With a radius of about 10−15 meters, a nucleus is quite small compared to the radius of the entire atom, which is about 10−10 meters. Nuclei are extremely dense compared to bulk matter, averaging 1.8 × 1014 grams per cubic centimeter. If the earth’s density were equal to the average nuclear density, the earth’s radius would be only about 200 meters.
To hold positively charged protons together...

RNA Stability

RNA Stability

Intact DNA strands can be found in fossils, while scientists sometimes struggle to keep RNA intact under laboratory conditions. The structural variations between RNA and DNA underlie the differences in their stability and longevity. Because DNA is double-stranded, it is inherently more stable. The single-stranded structure of RNA is less stable but also more flexible and can form weak internal bonds. Additionally, most RNAs in the cell are relatively short, while DNA can be up to 250 million...

Predicting Molecular Geometry

Predicting Molecular Geometry

VSEPR Theory for Determination of Electron Pair Geometries

Newman Projections

Newman Projections

Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

Synergistic Physisorption-Chemisorption Mechanism Enables High-Capacity NO<sub>2</sub> Capture in Nitrogen-Rich Conjugated Microporous Polymers.

ACS applied materials & interfaces·2025

Same author

Structural engineering of Pt-on-Rh hollow nanorods with high-performance peroxidase-like specific activity for colorimetric detection.

Dalton transactions (Cambridge, England : 2003)·2024

Same author

Effects of Different Guests on Pyrolysis Mechanism of α-CL-20/Guest at High Temperatures by Reactive Molecular Dynamics Simulations at High Temperatures.

International journal of molecular sciences·2023

Same author

Molecular dynamic insight into octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and the nano-HMX decomposition mechanism.

RSC advances·2022

Same author

Theoretical Prediction of Structures and Properties of 2,4,6-Trinitro-1,3,5-Triazine (TNTA) Green Energetic Materials from DFT and ReaxFF Molecular Modeling.

Materials (Basel, Switzerland)·2022

Same author

Theoretical Studies on the Role of Guest in α-CL-20/Guest Crystals.

Molecules (Basel, Switzerland)·2022

Search research articles

Related Experiment Video

Updated: Jan 28, 2026

How to Stabilize Protein: Stability Screens for Thermal Shift Assays and Nano Differential Scanning Fluorimetry in the Virus-X Project

How to Stabilize Protein: Stability Screens for Thermal Shift Assays and Nano Differential Scanning Fluorimetry in the Virus-X Project

Published on: February 11, 2019

Sudden Vector Projection-Driven Stability Prediction in Cyclobutane Nitric Ester Isomers.

Yingtao Xu¹, Ruidi Tian¹, Fei Sun¹

¹School of Chemistry and Environmental Engineering, Yangtze University, Jingzhou, Hubei 434023, China.

The Journal of Physical Chemistry. A

|January 26, 2026

Summary

Predicting energetic isomer stability is difficult. The new sudden vector projection (SVP) model reveals atom-level vibrational modes, improving predictions of decomposition reactivity and relative stability for cyclobutane nitric esters.

More Related Videos

Light-driven Molecular Motors on Surfaces for Single Molecular Imaging

Light-driven Molecular Motors on Surfaces for Single Molecular Imaging

Published on: March 13, 2019

Novel Whole-tissue Quantitative Assay of Nitric Oxide Levels in Drosophila Neuroinflammatory Response

Novel Whole-tissue Quantitative Assay of Nitric Oxide Levels in Drosophila Neuroinflammatory Response

Published on: December 4, 2013

Related Experiment Videos

Last Updated: Jan 28, 2026

How to Stabilize Protein: Stability Screens for Thermal Shift Assays and Nano Differential Scanning Fluorimetry in the Virus-X Project

How to Stabilize Protein: Stability Screens for Thermal Shift Assays and Nano Differential Scanning Fluorimetry in the Virus-X Project

Published on: February 11, 2019

Light-driven Molecular Motors on Surfaces for Single Molecular Imaging

Light-driven Molecular Motors on Surfaces for Single Molecular Imaging

Published on: March 13, 2019

Novel Whole-tissue Quantitative Assay of Nitric Oxide Levels in Drosophila Neuroinflammatory Response

Novel Whole-tissue Quantitative Assay of Nitric Oxide Levels in Drosophila Neuroinflammatory Response

Published on: December 4, 2013

Area of Science:

Computational chemistry
Chemical dynamics
Molecular modeling

Background:

Predicting the relative stability of energetic isomers is challenging due to similar reaction energy barriers.
Traditional energy-based metrics often fail to differentiate between isomers with close stability.
Understanding decomposition reactivity is crucial for energetic materials.

Purpose of the Study:

To develop a new model, the sudden vector projection (SVP) model, for predicting the relative stability of energetic isomers.
To elucidate the role of specific vibrational modes in the decomposition reactivity of cyclobutane nitric ester isomers.
To establish a reliable method for determining the stability order of complex energetic molecules.

Main Methods:

Development and application of the sudden vector projection (SVP) model.
Analysis of atom-level vibrational mode specificity in decomposition pathways.
Coupling SVP analysis with Boltzmann distribution analysis to study temperature-dependent stability.

Main Results:

The SVP model successfully distinguishes between energetic isomers with similar reaction barriers.
O-N stretching identified as a dominant decomposition mode in cyclobutane nitric esters.
Specific vibrational modes significantly influence isomers' relative instability trends.
Established stability order: Isomer 1 (least stable) < 3 < 2 < 4 < 5 (most stable).
Discovered temperature-dependent shifts in relative isomer stability during initial decomposition.

Conclusions:

The sudden vector projection (SVP) model provides atomic-level dynamical insights for predicting stability in energetic isomers.
Vibrational mode specificity is a critical factor in understanding decomposition reactivity.
SVP offers a powerful alternative to traditional methods for complex energetic materials.