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Computational Astrochemistry Journey towards the molecular universe

In astrochemistry, computational methods play a crucial role in addressing fundamental astronomical questions. Interstellar molecules profoundly influence the chemistry and physics of the interstellar medium (ISM), playing pivotal roles in planet formation and the emergence of life. Understanding their chemistry relies on theoretical approaches such as
Campisi, D., Perrero, J., Balucani, N.
openaire   +2 more sources

The UMIST database for astrochemistry 1995

, 1997
We report the release of a new version of the UMIST database for astrochemistry. The database contains the rate coefficients of 3864 gas-phase reactions important in interstellar and circumstellar chemistry and involves 395 species and 12 elements.
Willacy, K., Farquhar, P.R.A., Millar, TJ   +2 more
core   +1 more source

A quadratic-scaling algorithm with guaranteed convergence for quantum coupled-channel calculations. [PDF]

Sci Adv
Jóźwiak HJ, Rahman MM, Tscherbul TV.
europepmc   +1 more source

Assessment of <i>Saccharomyces cerevisiae</i> Survival Upon Exposure to Transient High Pressure and Temperature in a High-Intensity Shock Tube for Astrobiology (HISTA). [PDF]

Bio Protoc
Dhage R, Roy A, Sivaraman B, Rajyaguru PI.   +3 more
europepmc   +1 more source

The Seasons of a Career in Physical Chemistry: Olivia Harper Wilkins. [PDF]

ACS Phys Chem Au
Wilkins OH, Shea JE, Scholes GD, Solomon GC.   +3 more
europepmc   +1 more source

Astrochemistry revealed [PDF]

Nature, 1996
openaire   +1 more source

Mesoporous Silica with Different Channel Widths for Cs⁺ Adsorption: A Molecular Dynamics Simulation Study. [PDF]

Materials (Basel)
Wang R, Zhang W, Ye J, Wang X, Zhou X.
europepmc   +1 more source

Green and Economical Synthesis of Bi₂WO₆-Doped Geopolymers and Their Visible-Light Catalytic Degradation Mechanism Toward Tetracycline Hydrochloride. [PDF]

Materials (Basel)
Wang R, Zhang W, Ye J, Wang X, Zhou X.
europepmc   +1 more source

Optical Anisotropy as a Probe of Proton Ordering at Ice Surfaces. [PDF]

J Chem Theory Comput
Muroni A, Pan D, Govoni M, Kupchak I, Pulci O.   +4 more
europepmc   +1 more source

Non-equilibrium formation of the elusive dibridged diboranyl (B₂H₅) radical and boranes in low-temperature diborane ices. [PDF]

Chem Sci
Wang J, Marks JH, Zhang C, Turner AM, McAnally M, Nogamida M, Kaiser RI.   +6 more
europepmc   +1 more source