Related references
Note: Only part of the references are listed.In-Situ Electronegativity and the Bridging of Chemical Bonding Concepts
Stefano Racioppi et al.
CHEMISTRY-A EUROPEAN JOURNAL (2021)
Modeling Molecules under Pressure with Gaussian Potentials
Maximilian Scheurer et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
Unusual Chemistry of the C-H-N-O System under Pressure and Implications for Giant Planets
Anastasia S. Naumova et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2021)
Rules of formation of H-C-N-O compounds at high pressure and the fates of planetary ices
Lewis J. Conway et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2021)
Relating atomic energy, radius and electronegativity through compression
Martin Rahm et al.
CHEMICAL SCIENCE (2021)
Reaction Rates in Nitromethane under High Pressure from Density Functional Tight Binding Molecular Dynamics Simulations
Romain Perriot et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2020)
Non-Bonded Radii of the Atoms Under Compression
Martin Rahm et al.
CHEMPHYSCHEM (2020)
A mechanochemical model for the simulation of molecules and molecular crystals under hydrostatic pressure
Tim Stauch
JOURNAL OF CHEMICAL PHYSICS (2020)
Chemistry under high pressure
Maosheng Miao et al.
NATURE REVIEWS CHEMISTRY (2020)
Calculation of the detonation state of HN3 with quantum accuracy
Cong Huy Pham et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Squeezing All Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression
Martin Rahm et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Nanosecond X-ray diffraction of shock-compressed superionic water ice
Marius Millot et al.
NATURE (2019)
Molecular Dynamics Simulations of an Initial Chemical Reaction Mechanism of Shocked CL-20 Crystals Containing Nanovoids
Fuping Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Electronegativity Seen as the Ground-State Average Valence Electron Binding Energy
Martin Rahm et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model
Roberto Cammi et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2018)
Formamidinium Nitroformate: An Insensitive RDX Alternative
Amanda F. Baxter et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Zero-Kelvin Compression Isotherms of the Elements 1 ≤ Z ≤ 92 to 100 GPa
David A. Young et al.
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA (2016)
A New Extension of the Polarizable Continuum Model: Toward a Quantum Chemical Description of Chemical Reactions at Extreme High Pressure
Roberto Cammi
JOURNAL OF COMPUTATIONAL CHEMISTRY (2015)
Synthesis and Characterization of Fluorodinitroamine, FN(NO2)2
Karl O. Christe et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
High Pressure Electrides: A Predictive Chemical and Physical Theory
Mao-Sheng Miao et al.
ACCOUNTS OF CHEMICAL RESEARCH (2014)
Pressure-induced metallization of condensed phase β-HMX under shock loadings via molecular dynamics simulations in conjunction with multi-scale shock technique
Ni-Na Ge et al.
JOURNAL OF MOLECULAR MODELING (2014)
Density-Dependent Liquid Nitromethane Decomposition: Molecular Dynamics Simulations Based on ReaxFF
Naomi Rom et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
High pressure partially ionic phase of water ice
Yanchao Wang et al.
NATURE COMMUNICATIONS (2011)
Dinitrogen Difluoride Chemistry. Improved Syntheses of cis- and trans-N2F2, Synthesis and Characterization of N2F+Sn2F9-, Ordered Crystal Structure of N2F+Sb2F11-, High-Level Electronic Structure Calculations of cis-N2F2, trans-N2F2, F2N=N, and N2F+, and Mechanism of the trans-cis Isomerization of N2F2
Karl O. Christe et al.
INORGANIC CHEMISTRY (2010)
Highly compressed ammonia forms an ionic crystal
Chris J. Pickard et al.
NATURE MATERIALS (2008)
A transient semimetallic layer in detonating nitromethane
Evan J. Reed et al.
NATURE PHYSICS (2008)
Electronic structure of CO - An exercise in modern chemical bonding theory
Gernot Frenking et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
The chemical imagination at work in very tight places
Wojciech Grochala et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Quantum mechanical continuum solvation models
J Tomasi et al.
CHEMICAL REVIEWS (2005)
Early chemistry in hot and dense nitromethane: Molecular dynamics simulations
MR Manaa et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Shock waves in high-energy materials: The initial chemical events in nitramine RDX
A Strachan et al.
PHYSICAL REVIEW LETTERS (2003)
Two-component methods of relativistic quantum chemistry: from the Douglas-Kroll approximation to the exact two-component formalism
M Barysz et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2001)
Ab initio simulation of ammonia monohydrate (NH3•H2O) and ammonium hydroxide (NH4OH)
AD Fortes et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Novel broken symmetry phase from N2O at high pressures and high temperatures -: art. no. 135504
M Somayazulu et al.
PHYSICAL REVIEW LETTERS (2001)
Parallel Douglas-Kroll energy and gradients in NWChem: Estimating scalar relativistic effects using Douglas-Kroll contracted basis sets
WA de Jong et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Ab initio simulation of phase transitions and dissociation of H2S at high pressure
R Rousseau et al.
PHYSICAL REVIEW LETTERS (2000)
Share Paper
