Polymorphism and electronic structure of polyimine and its potential significance for prebiotic chemistry on Titan

The Origin of Life-Out of the Blue

(2015) John D. Sutherland   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Laboratory measurements of cryogenic liquid alkane microwave absorptivity and implications for the composition of Ligeia Mare, Titan

(2015) Karl L. Mitchell et al.   GEOPHYSICAL RESEARCH LETTERS

Solvation of nitrogen compounds in Titan’s seas, precipitates, and atmosphere

(2015) James M. Stevenson et al.   ICARUS

Common origins of RNA, protein and lipid precursors in a cyanosulfidic protometabolism

(2015) Bhavesh H. Patel et al.   Nature Chemistry

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

XSEDE: Accelerating Scientific Discovery

(2014) John Towns et al.   COMPUTING IN SCIENCE & ENGINEERING

The bathymetry of a Titan sea

(2014) Marco Mastrogiuseppe et al.   GEOPHYSICAL RESEARCH LETTERS

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

(2013) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

H-Bonding Activation in Highly Regioselective Acetylation of Diols

(2013) Yixuan Zhou et al.   JOURNAL OF ORGANIC CHEMISTRY

Stiffness versus architecture of single helical polyisocyanopeptides

(2013) Arend M. van Buul et al.   Chemical Science

Theoretical Study of Primary Reaction of Pseudozyma antarctica Lipase B as the Starting Point To Understand Its Promiscuity

(2013) Katarzyna Świderek et al.   ACS Catalysis

CALYPSO: A method for crystal structure prediction

(2012) Yanchao Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Does ice float in Titan’s lakes and seas?

(2012) Jason D. Hofgartner et al.   ICARUS

Structural Investigation of HCN Polymer Isotopomers by Solution-State Multidimensional NMR

(2012) Chao He et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Titan's native ocean revealed beneath some 45km of ice by a Schumann-like resonance

(2011) Christian Béghin et al.   COMPTES RENDUS GEOSCIENCE

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

(2011) Volker L. Deringer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Winds and tides of Ligeia Mare, with application to the drift of the proposed time TiME (Titan Mare Explorer) capsule

(2011) Ralph D. Lorenz et al.   PLANETARY AND SPACE SCIENCE

Methylhydroxycarbene: Tunneling Control of a Chemical Reaction

(2011) P. R. Schreiner et al.   SCIENCE

Hydrogen-Atom Tunneling Could Contribute to H2 Formation in Space

(2010) Theodorus P. M. Goumans et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Detection and mapping of hydrocarbon deposits on Titan

(2010) Roger N. Clark et al.   JOURNAL OF GEOPHYSICAL RESEARCH

Helical poly(isocyanides): past, present and future

(2010) Erik Schwartz et al.   Polymer Chemistry

Ketosteroid isomerase provides further support for the idea that enzymes work by electrostatic preorganization

(2010) S. C. L. Kamerlin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

An asymmetric distribution of lakes on Titan as a possible consequence of orbital forcing

(2009) O. Aharonson et al.   Nature Geoscience

Synergistic activation of the Diels–Alder reaction by an organic catalyst and substituents: a computational study

(2009) Mats Linder et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Coupling photochemistry with haze formation in Titan's atmosphere, Part I: Model description

(2007) P.P. Lavvas et al.   PLANETARY AND SPACE SCIENCE