Search Results - "Jacob, Annu"

Creating a large aspheric primary mirror using spherical segments.

Authors: Jacob, Annu Parihar, Padmakar James, Melvin K.

Source: Experimental Astronomy. Aug2020, Vol. 50 Issue 1, p51-71. 21p.

Building a large affordable optical-NIR telescope (I): an alternate way to handle segmented primary mirror.

Authors: Dharmadhikari, Radhika Parihar, Padmakar Jacob, Annu

Source: Experimental Astronomy. Dec2023, Vol. 56 Issue 2/3, p569-604. 36p.

A BRIEF ANALYSIS ON THE BEHAVIOUR OF GLOBAL PARTON DISTRIBUTION FUNCTIONS AT SMALL AND LARGE x.

Alternate Title: Кіші және үлкен х үшін жаһандық партондардың үлестіру функцияларының тәртібіне қысқаша талдау
Краткий анализ поведения глобальных функций распределения партонов при малом и большом x

Authors: Jahan, Akbari Neog, Diptimonta

Source: Recent Contributions to Physics. 2023, Vol. 85 Issue 2, p12-16. 5p.

Relativistic frozen density embedding calculations of solvent effects on the nuclear magnetic resonance shielding constants of transition metal nuclei.

Authors: Olejniczak, Małgorzata Antušek, Andrej Jaszuński, Michał

Source: International Journal of Quantum Chemistry. 11/15/2021, Vol. 121 Issue 22, p1-13. 13p.

The role of distributed atomic point charges and polarizabilities of solvent molecules on one‐ and two‐photon absorption spectra of aqueous p‐nitroaniline.

Authors: Lu, Shih‐I Wang, Bo‐Cheng

Source: Journal of the Chinese Chemical Society. Mar2021, Vol. 68 Issue 3, p429-433. 5p.

The KOALA program: Wavefunction frozen‐density embedding.

Authors: Höfener, Sebastian¹ (AUTHOR) hoefener@kit.edu

Source: International Journal of Quantum Chemistry. 2/5/2021, Vol. 121 Issue 3, p1-17. 17p.

Many‐body response of benzene at monolayer MoS2: Van der Waals interactions and spectral broadening.

Authors: Umerbekova, Alina Pavanello, Michele

Source: International Journal of Quantum Chemistry. Nov2020, Vol. 120 Issue 21, p1-14. 14p.

Frozen‐density embedding‐based many‐body expansions.

Authors: Schmitt‐Monreal, Daniel Jacob, Christoph R.

Source: International Journal of Quantum Chemistry. Nov2020, Vol. 120 Issue 21, p1-16. 16p.

Quantum embedding for material chemistry based on domain separation and open subsystems.

Authors: Mosquera, Martín A. Jones, Leighton O. Ratner, Mark A. et al.

Source: International Journal of Quantum Chemistry. Nov2020, Vol. 120 Issue 21, p1-13. 13p.

Nonadditive kinetic potentials from inverted Kohn-Sham problem.

Authors: Banafsheh, Mojdeh Adam Wesolowski, Tomasz

Source: International Journal of Quantum Chemistry. Jan2018, Vol. 118 Issue 1, pn/a-1. 18p.

Exploring the Solvatochromism of Betaine 30 with Ab Initio Tools: From Accurate Gas-Phase Calculations to Implicit and Explicit Solvation Models.

Authors: Budzák, Šimon Jaunet‐Lahary, Titouan Laurent, Adèle D. et al.

Source: Chemistry - A European Journal. 3/23/2017, Vol. 23 Issue 17, p4108-4119. 12p.

Theoretical investigation of NH3-SCR processes over zeolites: A review.

Authors: Mao, Yu Wang, Hai ‐ Feng Hu, P.

Source: International Journal of Quantum Chemistry. May2015, Vol. 115 Issue 10, p618-630. 14p.

All-Atom Quantum Mechanical Methodologies for One- and Two-Photon Absorption of Realistic Systems.

Authors: Löffelsender S Maraldi MG de Wergifosse M

Source: Chemphyschem : a European journal of chemical physics and physical chemistry [Chemphyschem] 2025 Jun 02; Vol. 26 (11), pp. e202401121. Date of Electronic Publication: 2025 May 07.

Publication Type: Journal Article

Journal Info: Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 100954211 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1439-7641 (Electronic) Linking ISSN: 14394235 NLM ISO Abbreviation: Chemphyschem Subsets: MEDLINE; PubMed not MEDLINE

Wavefunction in density functional theory embedding for excited states: which wavefunctions, which densities?

Authors: Daday C König C Neugebauer J et al.

Source: Chemphyschem : a European journal of chemical physics and physical chemistry [Chemphyschem] 2014 Oct 20; Vol. 15 (15), pp. 3205-17. Date of Electronic Publication: 2014 Oct 06.

Publication Type: Journal Article

Journal Info: Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 100954211 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1439-7641 (Electronic) Linking ISSN: 14394235 NLM ISO Abbreviation: Chemphyschem Subsets: PubMed not MEDLINE