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CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

Journal of applied crystallography, 2021-06, Vol.54 (3), p.1006-1011

2021

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Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures

Journal of chemical theory and computation, 2018-03, Vol.14 (3), p.1614-1623

2018

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CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

IUCrJ, 2017-09, Vol.4 (Pt 5), p.575-587

2017

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Global Analysis of the Mechanical Properties of Organic Crystals

Angewandte Chemie International Edition, 2022-03, Vol.61 (10), p.e202113988-n/a

International ed. in English, 2022

Volltextzugriff (PDF)

Intermolecular interactions in molecular crystals: what's in a name?

Faraday discussions, 2017, Vol.23, p.93-112

2017

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A solid solution to computational challenges presented by crystal structures exhibiting disorder

IUCrJ, 2024-05, Vol.11 (Pt 3), p.275-276

Spackman, Peter R

2024

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Global-scale black carbon profiles observed in the remote atmosphere and compared to models

Geophysical research letters, 2010-09, Vol.37 (18), p.n/a

2010

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A transferable quantum mechanical energy model for intermolecular interactions using a single empirical parameter

IUCrJ, 2023-11, Vol.10 (6), p.754-765

2023

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Description and evaluation of tropospheric chemistry and aerosols in the Community Earth System Model (CESM1.2)

Geoscientific Model Development, 2015-05, Vol.8 (5), p.1395-1426

2015

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CrystalClear: an open, modular protocol for predicting molecular crystal growth from solution

Chemical science (Cambridge), 2023-07, Vol.14 (26), p.7192-727

2023

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Evaluation of density functional theory for a large and diverse set of organic and inorganic equilibrium structures

Journal of computational chemistry, 2021-08, Vol.42 (22), p.1590-1601

2021

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Measurement of the mixing state, mass, and optical size of individual black carbon particles in urban and biomass burning emissions

Geophysical research letters, 2008-07, Vol.35 (13), p.L13810-n/a

2008

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Biomass burning in Siberia and Kazakhstan as an important source for haze over the Alaskan Arctic in April 2008

Geophysical research letters, 2009-01, Vol.36 (2), p.L02813-n/a

2009

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Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework

Journal of materials chemistry. A, Materials for energy and sustainability, 2020-01, Vol.8 (15), p.7158-717

2020

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Calculations of solar shortwave heating rates due to black carbon and ozone absorption using in situ measurements

Journal of Geophysical Research, 2008-07, Vol.113 (D14), p.D14203-n/a

2008

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Coatings and their enhancement of black carbon light absorption in the tropical atmosphere

Journal of Geophysical Research - Atmospheres, 2008-02, Vol.113 (D3), p.D03203-n/a

2008

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An important contribution to springtime Arctic aerosol from biomass burning in Russia

Geophysical research letters, 2010-01, Vol.37 (1), p.n/a

2010

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Global-scale seasonally resolved black carbon vertical profiles over the Pacific

Geophysical research letters, 2013-10, Vol.40 (20), p.5542-5547

2013

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Gasoline emissions dominate over diesel in formation of secondary organic aerosol mass

Geophysical research letters, 2012-03, Vol.39 (6), p.n/a

2012

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CALWATER FIELD STUDIES DESIGNED TO QUANTIFY THE ROLES OF ATMOSPHERIC RIVERS AND AEROSOLS IN MODULATING U.S. WEST COAST PRECIPITATION IN A CHANGING CLIMATE

Bulletin of the American Meteorological Society, 2016-07, Vol.97 (7), p.1209-1228

2016

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Global Analysis of the Mechanical Properties of Organic Crystals

Angewandte Chemie, 2022-03, Vol.134 (10), p.n/a

2022

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Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors

Angewandte Chemie International Edition, 2022-02, Vol.61 (6), p.e202110716-n/a

International ed. in English, 2022

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Dropsonde Observations of Total Integrated Water Vapor Transport within North Pacific Atmospheric Rivers

Journal of hydrometeorology, 2017-09, Vol.18 (9), p.2577-2596

2017

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Basis set convergence of CCSD(T) equilibrium geometries using a large and diverse set of molecular structures

The Journal of chemical physics, 2016-09, Vol.145 (10), p.104101-104101

2016

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Inferring ice formation processes from global-scale black carbon profiles observed in the remote atmosphere and model simulations

Journal of Geophysical Research: Atmospheres, 2012-12, Vol.117 (D23), p.n/a

2012

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CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures

CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

Global Analysis of the Mechanical Properties of Organic Crystals

Intermolecular interactions in molecular crystals: what's in a name?

A solid solution to computational challenges presented by crystal structures exhibiting disorder

Global-scale black carbon profiles observed in the remote atmosphere and compared to models

A transferable quantum mechanical energy model for intermolecular interactions using a single empirical parameter

Description and evaluation of tropospheric chemistry and aerosols in the Community Earth System Model (CESM1.2)

CrystalClear: an open, modular protocol for predicting molecular crystal growth from solution

Evaluation of density functional theory for a large and diverse set of organic and inorganic equilibrium structures

Measurement of the mixing state, mass, and optical size of individual black carbon particles in urban and biomass burning emissions

Biomass burning in Siberia and Kazakhstan as an important source for haze over the Alaskan Arctic in April 2008

Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework

Calculations of solar shortwave heating rates due to black carbon and ozone absorption using in situ measurements

Coatings and their enhancement of black carbon light absorption in the tropical atmosphere

An important contribution to springtime Arctic aerosol from biomass burning in Russia

Global-scale seasonally resolved black carbon vertical profiles over the Pacific

Gasoline emissions dominate over diesel in formation of secondary organic aerosol mass

CALWATER FIELD STUDIES DESIGNED TO QUANTIFY THE ROLES OF ATMOSPHERIC RIVERS AND AEROSOLS IN MODULATING U.S. WEST COAST PRECIPITATION IN A CHANGING CLIMATE

Global Analysis of the Mechanical Properties of Organic Crystals

Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors

Dropsonde Observations of Total Integrated Water Vapor Transport within North Pacific Atmospheric Rivers

Basis set convergence of CCSD(T) equilibrium geometries using a large and diverse set of molecular structures

Inferring ice formation processes from global-scale black carbon profiles observed in the remote atmosphere and model simulations

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