Log in

Relevant bibliographies by topics / Ab initio

Academic literature on the topic 'Ab initio'

Author: Grafiati

Published: 4 June 2021

Last updated: 7 July 2024

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Contents

Journal articles
Dissertations / Theses
Books
Book chapters
Conference papers
Reports

Consult the lists of relevant articles, books, theses, conference reports, and other scholarly sources on the topic 'Ab initio.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Journal articles on the topic "Ab initio"

1

Bak, Keld L., Aage E. Hansen, Kenneth Ruud, Trygve Helgaker, Jeppe Olsen, and Poul Jørgensen. "Ab initio." Theoretica Chimica Acta 90, no. 5 (1995): 441. http://dx.doi.org/10.1007/s002140050082.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Hohl, D. "Ab initio." Theoretica Chimica Acta 91, no. 3 (1995): 237. http://dx.doi.org/10.1007/s002140050102.

Full text

APA, Harvard, Vancouver, ISO, and other styles

3

Solà, Miquel, José L. Andrés, Miquel Duran, Agustı Lledós, and Juan Bertrán. "Ab initio." Theoretica Chimica Acta 91, no. 5 (1995): 333. http://dx.doi.org/10.1007/s002140050107.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Han, In-Suk, Chang Kon Kim, Hak Jin Jung, and Ikchoon Lee. "Ab Initio." Theoretica Chimica Acta 93, no. 4 (1996): 199. http://dx.doi.org/10.1007/s002140050147.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

Pliego Jr., Josefredo R., Stella M. Resende, and Wagner B. De Almeida. "Ab initio." Theoretica Chimica Acta 93, no. 6 (1996): 333. http://dx.doi.org/10.1007/s002140050157.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Scerri, Eric R. "Just how ab initio is ab initio quantum chemistry?" Foundations of Chemistry 6, no. 1 (2004): 93–116. http://dx.doi.org/10.1023/b:foch.0000020998.31689.16.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Tassopoulos, Ioannis A. "The Void Ab Initio Theory in Comparative Perspective: J Marshall, H Kelsen, and Beyond." ICL Journal 17, no. 3 (September 1, 2023): 213–32. http://dx.doi.org/10.1515/icl-2023-0034.

Full text

Abstract:

Abstract The void ab initio theory is traditionally associated with the retroactive effect of the unconstitutionality of a statute, in diffused systems of judicial review; as opposed to the prospective effect of unconstitutionality, in Austria, the archetype of centralized judicial review. The paper argues that the void ab initio theory goes far beyond the time-factor of judicial review, having two complementary aspects: 1) The void ab initio theory is tied to a robust theory of negative liberty; and substantive criminal law is its privileged field of application. The void ab initio theory goes back to Marbury v Madison (1803). 2) The void ab initio theory was strongly criticized by Kelsen, whose criticism is accurate, when the theory is unduly extended to the unconstitutionality of laws curtailing positive rights of the welfare state, eg, salaries and pensions, as happened recently in Greece. The act which abolishes the unconstitutional statute retroactively, has ‘the character of a legislative act.’ Indeed, the void ab initio theory in the field of positive social rights encroaches on legislative competence. The paper cocludes that the void ab initio theory is a strong expression of the ethos of legality; The void ab initio is most adequate for (cases involving) legal sanctions, on legal grounds, over adjudicative facts.

APA, Harvard, Vancouver, ISO, and other styles

8

Hinchliffe, Alan, Beatrice Nikolaidi, and Humberto Soscún Machado. "Density functional studies of the dipole polarizabilities of the linear polyacenes benzene through nonacene." Open Chemistry 3, no. 2 (June 1, 2005): 361–69. http://dx.doi.org/10.2478/bf02476002.

Full text

Abstract:

AbstractWe report Ab Initio studies of the electric dipole polarizability of the linear polyacene series benzene through nonacene. A number of Ab Initio studies were done at different levels of theory for benzene, with all remaining Ab Initio calculations being at the B3LYP/6-311G(2d, 1p)//B3LYP/6-311+G(2d, 1p) level of theory. We find that the NN tensor component shows a constant increment of 20 atomic units per ring. AM1 and QSAR-quality empirical calculations show poor absolute agreement with the Ab Initio results but given excellent statistical correlation coefficients with the Ab Initio values. This implies that the results of such cheaper calculations can be suitably scaled for predictive purposes.

APA, Harvard, Vancouver, ISO, and other styles

9

Kilic, Bilal. "Self-Medication Among Ab Initio Pilots." Aerospace Medicine and Human Performance 92, no. 3 (March 1, 2021): 167–71. http://dx.doi.org/10.3357/amhp.5718.2021.

Full text

Abstract:

INTRODUCTION: Pilots are more aware of drugs and self-medication in the internet age. However, they are unaware of the effects of self-medication, which may impede their cognitive and decision-making performance. The aim of this study was to determine the awareness levels of ab initio (student) pilots on self-medication and factors contributing to the prevalence of self-medication among them. To the best of the authors knowledge, this is the first study examining ab initio pilots knowledge on medication use and the causality of self-medication among them.METHODS: A 17-item questionnaire was developed and administered online to 500 students across 5 flight training organizations (FTO) in Turkey. The response rate was 97/500. For the descriptive analysis of the data, SPSS (the Statistical Package for the Social Sciences) was used.RESULTS: Based on the results, fear of medical disqualification and job loss is the most significant factor resulting in the prevalence of self-medication among ab initio pilots. Most of the ab initio pilots (88.7%, N 86) were aware of self-medication and its threat to flight safety. Furthermore, three factors influencing the level of awareness and knowledge of ab initio pilots on this subject were evaluated.DISCUSSION: All flight training organizations should educate ab initio pilots on the consequences of self-medication. Furthermore, ab initio pilots should be encouraged to consult an aeromedical examiner with any ailment before a flight.Kilic B. Self-medication among ab initio pilots. Aerosp Med Hum Perform. 2021; 92(3):167171.

APA, Harvard, Vancouver, ISO, and other styles

10

Schlegel, H. Bernhard. "Ab Initio Direct Dynamics." Accounts of Chemical Research 54, no. 20 (September 30, 2021): 3749–59. http://dx.doi.org/10.1021/acs.accounts.1c00390.

Full text

APA, Harvard, Vancouver, ISO, and other styles

More sources

Dissertations / Theses on the topic "Ab initio"

1

Wetzel, Thiele Lee. "Ab initio computational studies." Thesis, Georgia Institute of Technology, 1993. http://hdl.handle.net/1853/26023.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Northey, Thomas. "Ab initio molecular diffraction." Thesis, University of Edinburgh, 2017. http://hdl.handle.net/1842/28772.

Full text

Abstract:

In 1915, Debye derived his well-known equation for the X-ray scattering from a sample of randomly orientated gas-phase molecules. He approximated the molecular scattering by adding the contributions of isolated atomic constituents. This is known as the Independent Atom Model (IAM). However, it omits the redistribution of valence electrons due to bonding, and is limited to the electronic ground state. The main proposition of this thesis is that it is worthwhile going beyond the IAM when interpreting X-ray scattering data. In part, this is motivated by the arrival of new X-ray sources called X-ray Free-Electron Lasers (XFELs). A new method called Ab Initio X-ray Diffraction (AIXRD) is introduced. It calculates the elastic X-ray molecular scattering factor directly from wave functions calculated by ab initio electronic structure theory, for instance Hartree-Fock or multiconfigurational self-consistent field. In this way, the valence electrons are correctly taken into account, and calculations based on electronically excited wave functions become possible. The wave functions must be constructed from spatial orbitals made up of Gaussian-Type Orbitals (GTOs), giving an analytical solution to the Fourier transform integrals involved, and is key to computationally efficient and accurate results. This is compared to a fast Fourier transform (FFT) method, where the electron density is computed on a 3D grid and an FFT algorithm is used to obtain the elastic X-ray molecular scattering factor. Inspired by post-crystallography experiments such as serial femtosecond crystallography and single-particle imaging at XFELs, the AIXRD method is expanded to allow accurate X-ray diffraction calculations from large molecules such as proteins. To make the underlying ab initio problem tractable, the molecule is split into fragments. In other words, the electron density is constructed by a sum of fragment contributions, as is the corresponding molecular form-factor. In this way, it is analogous to the IAM approach except that instead of isolated atoms, there are isolated fragments. A pairwise summation of fragment contributions is also used to account for fragment-fragment interactions. Various fragment definitions are compared based on their effect on the X-ray diffraction signal, and are compared to the IAM method. Finally, X-ray diffraction from molecules in specific quantum states is calculated, revealing a distinct quantum fingerprint in the X-ray diffraction, and a comparison to experiment is made. In particular, the elastic X-ray diffraction is calculated from gas-phase H2 pumped to various electronic, vibrational, and electronic states. This is expanded upon for polyatomic molecules using the harmonic approximation for the vibrational states.

APA, Harvard, Vancouver, ISO, and other styles

3

Schweigert, Igor Vitalyevich. "Ab initio Density Functional Theory." [Gainesville, Fla.] : University of Florida, 2005. http://purl.fcla.edu/fcla/etd/UFE0011614.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Delle, Site Luigi. "Ab initio study of water." Thesis, Queen's University Belfast, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.322621.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

Thomas, Geraint Llewllyn. "Ab initio protein fold prediction." Thesis, University of Leeds, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.436019.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Chang, Qiang. "Ab Initio Calculation on UO2." The Ohio State University, 2002. http://rave.ohiolink.edu/etdc/view?acc_num=osu1391705586.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Sommer, Jan. "Ab initio Berechnung des Elektronentransports in metallbeschichteten Kohlenstoffnanoröhrchen: Ab initio Berechnung des Elektronentransports inmetallbeschichteten Kohlenstoffnanoröhrchen." Bachelor's thesis, Fraunhofer Institut für elektronische Nanosysteme, 2011. https://monarch.qucosa.de/id/qucosa%3A18639.

Full text

Abstract:

Kohlenstoffnanoröhrchen (engl. carbon nanotube, CNT) sind vielversprechende Kandidaten für den Ersatz von Kupferleitbahnen die bei weiterer Strukturverkleinerung von integrierten Schaltkreisen notwendig wird. In dieser Arbeit wird mit Hilfe von ab-initio Simulationen auf Basis der Dichtefunktionaltheorie die elektronische Struktur von halbleitenden CNTs beispielhaft anhand des (8,4)-CNTs untersucht. Nach Besetzung des CNT mit Metallatomen, hier Kobalt, zeigen sich massive Änderungen der Bandstruktur. Es reichen bereits überraschend kleine Mengen des Metalls aus, um einen starken Effekt zu erreichen. Die Änderungen der elektronischen Struktur sind stark abhängig von der genauen Position der Metallatome relativ zum Kohlenstoffgerüst der CNTs, der Einfluss der mechanischen Verformung des CNTs als Reaktion auf die Anlagerung ist hingegen sehr gering. Die relevanten Bänder der Kobaltatome liegen leicht unterhalt der Fermi-Energie und sorgen bei der Integration in die Bandstruktur des CNTs für die Schließung der Bandlücke und somit für die Transformation eines vorher halbleitenden CNTs in ein leitendes. Diese Transformation konnte auch mit Simulationsrechnungen zum Elektronentransport bestätigt werden. Ferner wurden bei weiteren Rechnungen eine ausgeprägte Spinabhängigkeit der Bandstruktur ermittelt, welche noch weiterer Untersuchung bedarf.

APA, Harvard, Vancouver, ISO, and other styles

8

Langer, Holger. "Nichtadiabatische Ab-initio-Molekulardynamiksimulationen photoangeregter Nukleobasen." [S.l.] : [s.n.], 2006. http://deposit.ddb.de/cgi-bin/dokserv?idn=980630452.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

Binder, Jörg. "Giant Magnetoresistance - eine ab-initio Beschreibung." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2001. http://nbn-resolving.de/urn:nbn:de:swb:14-997704395015-96808.

Full text

Abstract:

Die vorliegende Arbeit ist ein Beitrag zur Theorie des spinabhängigen Transports in magnetischen Vielfachschichten. Es wird erstmalig eine parameterfreie Beschreibung des Giant Magnetoresistance (GMR) vorgelegt, welche detaillierte Einsichten in die mikroskopischen Vorgänge gestattet. Die ab-initio Berechnung der Elektronenstruktur der magnetischen Vielfachschichten basiert auf der Spindichtefunktionaltheorie unter Verwendung eines Screened Korringa-Kohn-Rostoker-Verfahrens. Die Streueigenschaften von Punktdefekten werden über die Greensche Funktion des gestörten Systems selbstkonsistent bestimmt. Die Transporteigenschaften werden durch Lösung der quasiklassischen Boltzmann-Gleichung unter Berücksichtigung der Elektronenstruktur der Vielfachschicht und der Anisotropie der Streuung an Fremdatomen berechnet. Die Boltzmann-Gleichung wird iterativ unter Einbeziehung der Vertex-Korrekturen gelöst. Der Formalismus wird auf Co/Cu- und Fe/Cr-Vielfachschichten, die Standardsysteme der Magnetoelektronik, angewandt. Es werden die Abhängigkeit der Streuquerschnitte, der spezifischen Restwiderstände und des GMR von der Art und der Lage der Übergangsmetalldefekte in Co/Cu- und Fe/Cr-Vielfachschichten diskutiert. Darüber hinaus wird der Einfluß des Quantum Confinements auf den GMR eingehend untersucht. Vorteile und Grenzen der vorliegenden theoretischen Beschreibung werden aufgezeigt
A new theoretical concept to study the microscopic origin of Giant Magnetoresistance (GMR) from first principles is presented. The method is based on ab-initio electronic structure calculations within the spin density functional theory using a Screened Korringa-Kohn-Rostoker method. Scattering at impurity atoms in the multilayers is described by means of a Green's-function method. The scattering potentials are calculated self-consistently. The transport properties are treated quasi-classically solving the Boltzmann equation including the electronic structure of the layered system and the anisotropic scattering. The solution of the Boltzmann equation is performed iteratively taking into account both scattering out and scattering in terms (vertex corrections). The method is applied to Co/Cu and Fe/Cr multilayers. Trends of scattering cross sections, residual resistivities and GMR ratios are discussed for various transition metal impurities at different positions in the Co/Cu or Fe/Cr multilayers. Furthermore the relation between spin dependence of the electronic structure and GMR as well as the role of quantum confinement effects for GMR are investigated. Advantages and limits of the approach are discussed in detail

APA, Harvard, Vancouver, ISO, and other styles

10

Li, Sa. "Materials Design from ab initio Calculations." Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis : Univ.-bibl. [distributör], 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-4274.

Full text

APA, Harvard, Vancouver, ISO, and other styles

More sources

Books on the topic "Ab initio"

1

Aguiar, João P. Afonso. Ab initio. Lisboa: Chiado Editora, 2013.

Find full text

APA, Harvard, Vancouver, ISO, and other styles

2

Maezono, Ryo. Ab initio Calculation Tutorial. Singapore: Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-99-0919-3.

Full text

APA, Harvard, Vancouver, ISO, and other styles

3

J, Hehre Warren, ed. Ab initio molecular orbital theory. New York: Wiley, 1986.

Find full text

APA, Harvard, Vancouver, ISO, and other styles

4

Mendive Tapia, Eduardo. Ab initio Theory of Magnetic Ordering. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-37238-5.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

Hinchliffe, Alan. Ab initio determination of molecular properties. Bristol: A. Hilger, 1987.

Find full text

APA, Harvard, Vancouver, ISO, and other styles

6

P, Lawley K., ed. Ab initio methods in quantum chemistry. Chichester [West Sussex]: Wiley, 1987.

Find full text

APA, Harvard, Vancouver, ISO, and other styles

7

Jürg, Hutter, ed. Ab initio molecular dynamics: Basic theory and advanced methods. Cambridge: Cambridge University Press, 2009.

Find full text

APA, Harvard, Vancouver, ISO, and other styles

8

Pisani, C., R. Dovesi, and C. Roetti. Hartree-Fock Ab Initio Treatment of Crystalline Systems. Berlin, Heidelberg: Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-93385-1.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

Stein, Christopher J. Highly Accurate Spectroscopic Parameters from Ab Initio Calculations. Wiesbaden: Springer Fachmedien Wiesbaden, 2016. http://dx.doi.org/10.1007/978-3-658-14830-0.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

A, Lester W., and Reynolds Peter J, eds. Monte Carlo methods in ab initio quantum chemistry. Singapore: World Scientific, 1994.

Find full text

APA, Harvard, Vancouver, ISO, and other styles

More sources

Book chapters on the topic "Ab initio"

1

Dixon, David A. "Ab Initio Calculations." In Encyclopedia of Earth Sciences Series, 1–6. Cham: Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-39193-9_16-1.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Dixon, David A. "Ab Initio Calculations." In Encyclopedia of Earth Sciences Series, 1–6. Cham: Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-319-39312-4_16.

Full text

APA, Harvard, Vancouver, ISO, and other styles

3

De Luca, Giorgio. "Ab Initio Calculation." In Encyclopedia of Membranes, 1–2. Berlin, Heidelberg: Springer Berlin Heidelberg, 2012. http://dx.doi.org/10.1007/978-3-642-40872-4_616-1.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Chivian, Dylan, Timothy Robertson, Richard Bonneau, and David Baker. "Ab Initio Methods." In Structural Bioinformatics, 547–57. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2005. http://dx.doi.org/10.1002/0471721204.ch27.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

Lewars, Errol G. "Ab initio Calculations." In Computational Chemistry, 175–390. Dordrecht: Springer Netherlands, 2010. http://dx.doi.org/10.1007/978-90-481-3862-3_5.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Ohno, Kaoru, Keivan Esfarjani, and Yoshiyuki Kawazoe. "Ab Initio Methods." In Springer Series in Solid-State Sciences, 7–138. Berlin, Heidelberg: Springer Berlin Heidelberg, 1999. http://dx.doi.org/10.1007/978-3-642-59859-3_2.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Lewars, Errol G. "Ab initio Calculations." In Computational Chemistry, 193–419. Cham: Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-30916-3_5.

Full text

APA, Harvard, Vancouver, ISO, and other styles

8

De Luca, Giorgio. "Ab Initio Calculation." In Encyclopedia of Membranes, 1–2. Berlin, Heidelberg: Springer Berlin Heidelberg, 2016. http://dx.doi.org/10.1007/978-3-662-44324-8_616.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

Chinesta, Francisco, and Emmanuelle Abisset-Chavanne. "Ab-Initio Calculations." In A Journey Around the Different Scales Involved in the Description of Matter and Complex Systems, 29–39. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-70001-4_2.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

Ohno, Kaoru, Keivan Esfarjani, and Yoshiyuki Kawazoe. "Ab Initio Methods." In Computational Materials Science, 7–197. Berlin, Heidelberg: Springer Berlin Heidelberg, 2018. http://dx.doi.org/10.1007/978-3-662-56542-1_2.

Full text

APA, Harvard, Vancouver, ISO, and other styles

Conference papers on the topic "Ab initio"

1

FELDMEIER, H., T. NEFF, and R. ROTH. "NUCLEAR STRUCTURE – “AB INITIO”." In Proceedings of the International Symposium. WORLD SCIENTIFIC, 2004. http://dx.doi.org/10.1142/9789812702401_0009.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Leś, Andrzej, and Ludwik Adamowicz. "Ab initio calculations of biomolecules." In CAM-94 Physics meeting. AIP, 1995. http://dx.doi.org/10.1063/1.48840.

Full text

APA, Harvard, Vancouver, ISO, and other styles

3

Zabidi, Noriza Ahmad, Hasan Abu Kassim, Keshav N. Shrivastava, H. B. Senin, G. Carini, J. B. Abdullah, and D. A. Bradley. "Ab Initio Study of Polonium." In CURRENT ISSUES OF PHYSICS IN MALAYSIA: National Physics Conference 2007 - PERFIK 2007. AIP, 2008. http://dx.doi.org/10.1063/1.2940638.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Bakulin, Alexander V., Svetlana E. Kulkova, Qing-Miao Hu, and Rui Yang. "Initial oxidation of TiAl: An ab-initio investigation." In INTERNATIONAL CONFERENCE ON PHYSICAL MESOMECHANICS OF MULTILEVEL SYSTEMS 2014. AIP Publishing LLC, 2014. http://dx.doi.org/10.1063/1.4898877.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

VARY, J. P., P. NAVRÁTIL, V. G. GUEORGUIEV, W. E. ORMAND, A. NOGGA, P. MARIS, and A. SHIROKOV. "AB INITIO AND AB EXITU NO CORE SHELL MODEL." In Proceedings of the 9th International Spring Seminar on Nuclear Physics. WORLD SCIENTIFIC, 2008. http://dx.doi.org/10.1142/9789812779038_0018.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Ceric, H., R. L. De Orio, W. H. Zisser, and S. Selberherr. "Ab initio method for electromigration analysis." In 2012 19th IEEE International Symposium on the Physical and Failure Analysis of Integrated Circuits (IPFA 2012). IEEE, 2012. http://dx.doi.org/10.1109/ipfa.2012.6306306.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Polyansky, Oleg, Nikolay Zobov, Andrey Yachmenev, Sergei Yurchenko, Jonathan Tennyson, Lorenzo Lodi, Aleksandra Kyuberis, and Roman Ovsyannikov. "AB INITIO CALCULATION OF NH3 SPECTRUM." In 71st International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2016. http://dx.doi.org/10.15278/isms.2016.tk11.

Full text

APA, Harvard, Vancouver, ISO, and other styles

8

van der Plas, J. L., and Rick P. Millane. "Ab-initio phasing in protein crystallography." In International Symposium on Optical Science and Technology, edited by Michael A. Fiddy and Rick P. Millane. SPIE, 2000. http://dx.doi.org/10.1117/12.409276.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

Gupta, M. K., Prabhatasree Goel, R. Mittal, S. L. Chaplot, Dinesh K. Aswal, and Anil K. Debnath. "Ab-initio Studies Of Lithium Oxide." In INTERNATIONAL CONFERENCE ON PHYSICS OF EMERGING FUNCTIONAL MATERIALS (PEFM-2010). AIP, 2010. http://dx.doi.org/10.1063/1.3530545.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

LOVAS, R. G., K. VARGA, and Y. SUZUKI. "AB INITIO CALCULATIONS FOR LIGHT NUCLEI." In Proceedings of the International Symposium on Post-Symposium of YKIS01. WORLD SCIENTIFIC, 2002. http://dx.doi.org/10.1142/9789812777577_0036.

Full text

APA, Harvard, Vancouver, ISO, and other styles

Reports on the topic "Ab initio"

1

Baimbridge, Mark. Designing ab initio postgraduate degrees. The Economics Network, January 2013. http://dx.doi.org/10.53593/n2298a.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Ortiz, J. V. AB Initio Propagator Theory of Clusters. Fort Belvoir, VA: Defense Technical Information Center, February 2003. http://dx.doi.org/10.21236/ada411554.

Full text

APA, Harvard, Vancouver, ISO, and other styles

3

Burakovsky, Leonid, Samuel Baty, and Dean Preston. Ab Initio Phase Diagram of Tungsten. Office of Scientific and Technical Information (OSTI), December 2020. http://dx.doi.org/10.2172/1739915.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Bjorgaard, Josiah, James Hammerberg, and Daniel Sheppard. Material Properties from ab initio Calculations. Office of Scientific and Technical Information (OSTI), September 2023. http://dx.doi.org/10.2172/2000897.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

Rehr, J. J., and S. I. Zabinsky. FEFF5: An ab initio multiple scattering XAFS code. Office of Scientific and Technical Information (OSTI), December 1992. http://dx.doi.org/10.2172/10142418.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Thompson, Donald L. Ab Initio-Based Predictions of Hydrocarbon Combustion Chemistry. Fort Belvoir, VA: Defense Technical Information Center, July 2015. http://dx.doi.org/10.21236/ada624250.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

wentzcovitch, renata maria. Final Report: Ab initio Geochemistry of Hydrous Phases. Office of Scientific and Technical Information (OSTI), September 2023. http://dx.doi.org/10.2172/2202250.

Full text

APA, Harvard, Vancouver, ISO, and other styles

8

Xie, J., and S. P. Chen. Ab initio calculations of As-vacancy interactions in silicon. Office of Scientific and Technical Information (OSTI), April 1999. http://dx.doi.org/10.2172/334208.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

Quaglioni, S. Ab Initio Calculations Of Nuclear Reactions And Exotic Nuclei. Office of Scientific and Technical Information (OSTI), May 2014. http://dx.doi.org/10.2172/1249140.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

Matthew Neurock. An Ab Initio Approach Towards Engineering Fischer-Tropsch Surface Chemistry. Office of Scientific and Technical Information (OSTI), September 2002. http://dx.doi.org/10.2172/909653.

Full text

APA, Harvard, Vancouver, ISO, and other styles

We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!