Citation Impact
Citing Papers
The QCFF/PI+MCA program package efficiency and versatility in molecular mechanics
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Correlation contributions to first ionization potentials of first-row atoms, hydrides and dimers obtained with gradient corrected GGA91 density functionals
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Linear Carbon Dioxide in the High-Pressure High-Temperature Crystalline Phase IV
2004
High Pressure Photoinduced Ring Opening of Benzene
2002
Computing vibrational spectra from ab initio molecular dynamics
2013
Local Polar Fluctuations in Lead Halide Perovskite Crystals
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Distributed multipole analysis
1985 Standout
Solid and liquid nitrogen
1976
Computer Simulation of Liquids
2017 Standout
Femtosecond reaction dynamics in the gas-to-liquid transition region: Observation of a three-phase density dependence
1996 StandoutNobel
Evidence for cooperativity in quadrupolar glass freezing from Monte Carlo simulations
1983 StandoutNobel
Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane-wave study
2000 Standout
Femtosecond dynamics of microscopic friction: nature of coherent versus diffusive motion from gas to liquid density
1997 StandoutNobel
Crystal structure prediction via particle-swarm optimization
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Solvation Ultrafast Dynamics of Reactions. 13. Theoretical and Experimental Studies of Wave Packet Reaction Coherence and Its Density Dependence
1996 StandoutNobel
A density-functional study of the intermolecular interactions of benzene
1996
Femtosecond Dynamics of Solvation: Microscopic Friction and Coherent Motion in Dense Fluids
1998 StandoutNobel
ReaxFF-lg: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials
2011
Electrostatic interactions in molecular crystals
1983
Pairwise additive effective potentials for nitrogen
1980
Molecules under extreme conditions: Chemical reactions at high pressure
2003
Computer simulations of the linewidth of the Raman Q-branch in fluid nitrogen
1995
Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energies
2008 StandoutNobel
MOLECULAR DYNAMIC SIMULATIONS OF SOLID NITROMETHANE UNDER HIGH PRESSURES
2010
Orientational ordering in a dilute system of classical interacting quadrupoles : (N2-Ar) solid mixtures
1982 StandoutNobel
Simulation of structural phase transitions by metadynamics
2005
Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen
2001 Standout
Decomposition and Polymerization of Solid Carbon Monoxide under Pressure
1998
Calculation of structural properties and vibrational frequencies of α- and γ-N2 crystals
1975
The Biomarker Guide
2004 Standout
An intermolecular potential for methane
1981
Raman microspectrometry of fluid inclusions
2001
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
2006 Standout
A density functional study of the simplest hydrogen abstraction reaction. Effect of self-interaction correction
1994 StandoutNobel
Works of D. Fabre being referenced
Phase transitions and chemical transformations of nitromethane up to 350 °C and 35 GPa
1995
Raman spectra of solid CH4 under pressure. I. Phase transition between phases II and III
1979
Phase transitions and chemical transformations of benzene up to 550 °C and 30 GPa
1993
Raman spectra of solid α-N2 and γ-N2 under high pressure at 4.2 K
1973
Study of the density and temperature dependences of the vibrational Raman transition in compressed liquid N2
1991
Stimulated Raman spectroscopy of theQbranch of nitrogen at high pressure: collisional narrowing and shifting in the 150–6800 bar range at room temperature
1992
Raman spectroscopy of DMSO and DMSO-H2O mixtures (32 mol% of DMSO) up to 20 GPa
1992
Pressure dependence of Raman spectra of solid nitrogen at 4·2 K up to 9 kbar
1976
Pressure and Density Dependence of the CH4 and N2 Raman Lines in an Equimolar CH4/N2 Gas Mixture
1992
Comparative Raman spectroscopy of nitromethane-h3, nitromethane-d3, and nitroethane up to 20 GPa
1998