Works about DENSITY functionals

Results: 5000

Most Possible Estimates and Maximum Likelihood Estimates.

Published in:

Sociological Methods & Research, 1982, v. 10, n. 4, p. 453, doi. 10.1177/0049124182010004004

By:

Wanat, John

Publication type:

Article

Theoretical Investigation of the Relationship between Impact Sensitivity and the Charges of the Nitro Group in Nitro Compounds.

Published in:

Journal of Energetic Materials, 2005, v. 23, n. 2, p. 107, doi. 10.1080/07370650590936433

By:

Chaoyang, Zhang;
Yuanjie, Shu;
Yigang, Huang;
Xinfeng, Wang

Publication type:

Article

Computational Study of Picric Acid and Potassium Picrate.

Published in:

Journal of Energetic Materials, 2005, v. 23, n. 2, p. 121, doi. 10.1080/07370650590936442

By:

Ju, Xue-Hai;
Xu, Xiao-Juan;
Xiao, He-Ming

Publication type:

Article

Selective synthesis of oleyl alcohol via catalytic and non‐catalytic liquid‐phase methyl oleate reduction.

Published in:

Journal of the American Oil Chemists' Society (JAOCS), 2023, v. 100, n. 6, p. 477, doi. 10.1002/aocs.12687

By:

Vallejo Orrego, Alejandro;
Ferretti, Cristián A.;
Díez, Verónica K.

Publication type:

Article

Consideration on the Relationship Between Dielectric Breakdown Voltage and Water Content in Fatty Acid Esters.

Published in:

Journal of the American Oil Chemists' Society (JAOCS), 2012, v. 89, n. 7, p. 1223, doi. 10.1007/s11746-012-2013-2

By:

Kasahara, Yasutoshi;
Kato, Masashi;
Watanabe, Satoshi;
Iwahashi, Makio;
Wakamatsu, Rieko;
Suzuki, Takashi;
Kanetani, Akinori;
Kano, Takaaki;
Tamura, Takamitsu

Publication type:

Article

Distributions of Compressive Strength Obtained from Various Diameter Cores.

Published in:

ACI Materials Journal, 2012, v. 109, n. 6, p. 597, doi. 10.14359/51684157

By:

Celik, Ahmet Ozan;
Kilinc, Kadir;
Tuncan, Mustafa;
Tuncan, Ahmet

Publication type:

Article

POPULAR DCT MODELS.

Published in:

International Journal of Wavelets, Multiresolution & Information Processing, 2007, v. 5, n. 5, p. 725, doi. 10.1142/S0219691307002014

By:

NADARAJAH, SARALEES;
KOTZ, SAMUEL

Publication type:

Article

PRESSURE INDUCED PHASE TRANSITION AND ELECTRONIC PROPERTIES OF 1D NANOCRYSTAL: AN AB INITIO STUDY.

Published in:

International Journal of Nanoscience, 2012, v. 11, n. 5, p. -1, doi. 10.1142/S0219581X12500354

By:

SRIVASTAVA, ANURAG;
TYAGI, NEHA

Publication type:

Article

STABILITY ANALYSIS OF SMALL COPPER NANOCLUSTERS.

Published in:

International Journal of Nanoscience, 2012, v. 11, n. 1, p. 1250006-1, doi. 10.1142/S0219581X12500068

By:

SAXENA, PRABODH SAHAI;
SRIVASTAVA, PANKAJ;
SHRIVASTAVA, ASHWANI Kr.

Publication type:

Article

FIRST-PRINCIPLES INVESTIGATION INTO FERROMAGNETISM IN C-DOPED ZINC OXIDE CLUSTERS (ZnO)n; N = 1 - 12.

Published in:

International Journal of Nanoscience, 2011, v. 10, n. 4/5, p. 577, doi. 10.1142/S0219581X11009076

By:

SHARMA, HITESH;
SINGH, RANBER

Publication type:

Article

EFFECTS OF SULFUR SUBSTITUTIONAL IMPURITIES ON ZnO STRUCTURE USING DENSITY FUNCTIONAL THEORY.

Published in:

International Journal of Nanoscience, 2011, v. 10, n. 3, p. 381, doi. 10.1142/S0219581X11008113

By:

FLORES-HIDALGO, MANUEL ALBERTO;
BARRAZA-JIMÉNEZ, DIANA;
GLOSSMAN-MITNIK, DANIEL

Publication type:

Article

SPIN-POLARIZATION-DEPENDENT TRANSPORT IN GRAPHENE NANORIBBON WITH A VACANCY.

Published in:

International Journal of Nanoscience, 2011, v. 10, n. 3, p. 533, doi. 10.1142/S0219581X11008307

By:

LIU, CHUN-MEI;
LIU, NIAN-HUA;
LIU, ZHENG-FANG;
AN, LI-PING

Publication type:

Article

STRUCTURAL, ELECTRONIC, AND OPTICAL PROPERTIES OF ZnxSy (x + y = 2 TO 4) NANOCLUSTERS:: A B3LYP-DFT STUDY.

Published in:

International Journal of Nanoscience, 2011, v. 10, n. 1/2, p. 341, doi. 10.1142/S0219581X11007995

By:

YADAV, P. S.;
PANDEY, D. K.;
AGRAWAL, S.;
AGRAWAL, B. K.

Publication type:

Article

FREQUENCY-DEPENDENT POLARIZABILITY OF SMALL SILICON CLUSTERS.

Published in:

International Journal of Nanoscience, 2011, v. 10, n. 1/2, p. 367, doi. 10.1142/S0219581X11008058

By:

MAKWANI, DIKSHA;
VIJAYA, R.

Publication type:

Article

A COMPARATIVE STUDY OF OPTICAL PROPERTIES OF C3N AND CN3 SYSTEMS THROUGH DENSITY FUNCTIONAL THEORY (DFT).

Published in:

International Journal of Nanoscience, 2011, v. 10, n. 1/2, p. 361, doi. 10.1142/S0219581X1100806X

By:

JANA, DEBNARAYAN;
CHEN, LI-CHYONG;
CHEN, CHUN WEI;
CHEN, KUEI-HSIEN

Publication type:

Article

MAGNETIC MAP OF MnNi ALLOYED MONOLAYER ON Cu(001) SUBSTRATE:: AB-INITIO CALCULATIONS.

Published in:

International Journal of Nanoscience, 2010, v. 9, n. 6, p. 619, doi. 10.1142/S0219581X10007368

By:

HAMAD, BOTHINA A.

Publication type:

Article

DENSITY FUNCTIONAL STUDY ON THE EFFECT OF ELECTRON WITHDRAWING SUBSTITUENT ON THE STABILITY OF RNHBH2.

Published in:

International Journal of Nanoscience, 2009, v. 8, n. 1/2, p. 53, doi. 10.1142/S0219581X0900561X

By:

JUNG, DONG HYUN;
KIM, DAEJIN;
LEE, AREUM;
CHOI, SEUNG-HOON;
KANG, SANG OOK

Publication type:

Article

THEORETICAL STUDY ON OPEN-SHELL NONLINEAR OPTICAL MOLECULAR SYSTEMS AND A DEVELOPMENT OF A NOVEL COMPUTATIONAL SCHEME OF EXCITON DYNAMICS.

Published in:

International Journal of Nanoscience, 2009, v. 8, n. 1/2, p. 123, doi. 10.1142/S0219581X09005803

By:

NAKANO, MASAYOSHI;
KISHI, RYOHEI;
FUKUI, HITOSHI;
MINAMI, TAKUYA;
NAGAI, HIROSHI;
YONEDA, KYOHEI;
BONNESS, SEAN;
TAKAHASHI, HIDEAKI

Publication type:

Article

ATOMISTIC SIMULATION OF GATE EFFECT ON NANOSCALE INTRINSIC Si FIELD-EFFECT TRANSISTORS.

Published in:

International Journal of Nanoscience, 2009, v. 8, n. 1/2, p. 113, doi. 10.1142/S0219581X09005827

By:

WANG, X. F.;
ZHAO, L. N.;
YAO, Z. H.;
HOU, Z. F.;
YEE, M.;
ZHOU, X.;
LIN, S. H.;
LEE, T. S.

Publication type:

Article

THEORETICAL STUDY OF THE ELECTRON TRANSPORT THROUGH THE CYSTEINE AMINO ACID NANOMOLECULAR WIRE.

Published in:

International Journal of Nanoscience, 2008, v. 7, n. 2/3, p. 95, doi. 10.1142/S0219581X08005225

By:

GANJI, M. D.;
AGHAIE, H.;
GHOLAMI, M. R.

Publication type:

Article

EFFECTS OF SURFACE OXYGEN ON THE ELECTRONIC PROPERTIES OF SILICON NANOCLUSTERS.

Published in:

International Journal of Nanoscience, 2006, v. 5, n. 1, p. 13, doi. 10.1142/S0219581X06004085

By:

Dai, Ying;
Huang, Baibiao;
Yu, Lin;
Han, Shenghao;
Dai, Dadi

Publication type:

Article

INFLUENCE OF ELECTRODE–MOLECULE INTERFACE ON ELECTRON TRANSPORT.

Published in:

International Journal of Nanoscience, 2005, v. 4, n. 4, p. 443, doi. 10.1142/S0219581X05003607

By:

PING BAI;
ERPING LI;
COLLIER, PETER A.

Publication type:

Article

POST HARTREE–FOCK AND DENSITY FUNCTIONAL THEORY STUDIES ON (BN)n=1–10 CLUSTERS.

Published in:

International Journal of Nanoscience, 2005, v. 4, n. 3, p. 377, doi. 10.1142/S0219581X0500319X

By:

Nirmala, V.;
Kolandaivel, P.

Publication type:

Article

COMPLEX DONORS IN NITROGEN-DOPED DIAMOND.

Published in:

International Journal of Nanoscience, 2004, v. 3, n. 4/5, p. 455, doi. 10.1142/S0219581X04002255

By:

Ying Dai;
Any Li;
Ying Zhang;
Shenghao Han

Publication type:

Article

Mechanical and Electronic Properties of Strained Layer Superlattices Studied by Density Functional TB and Path Probability Methods.

Published in:

International Journal of Nanoscience, 2002, v. 1, n. 3/4, p. 357, doi. 10.1142/S0219581X02000322

By:

Masuda-Jindo, K.;
Kikuchi, R.

Publication type:

Article

Electric Dipole Polarizability of Neutron Rich Nuclei.

Published in:: Annalen der Physik, 2022, v. 534, n. 3, p. 1, doi. 10.1002/andp.202100185
Publication type:: Article

Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations.

Published in:

Advanced Functional Materials, 2013, v. 23, n. 27, p. 3471, doi. 10.1002/adfm.201202808

By:

Longo, Roberto C.;
Cho, Kyeongjae;
Schmidt, Wolf Gero;
Chabal, Yves J.;
Thissen, Peter

Publication type:

Article

Efficient Dye-Sensitized Solar Cells with Potential-Tunable Organic Sulfide Mediators and Graphene-Modified Carbon Counter Electrodes.

Published in:

Advanced Functional Materials, 2013, v. 23, n. 26, p. 3344, doi. 10.1002/adfm.201203374

By:

Li, Xiong;
Liu, Linfeng;
Liu, Guanghui;
Rong, Yaoguang;
Yang, Ying;
Wang, Heng;
Ku, Zhiliang;
Xu, Mi;
Zhong, Cheng;
Han, Hongwei

Publication type:

Article

Multivariate Regular Variation of Discrete Mass Functions with Applications to Preferential Attachment Networks.

Published in:

Methodology & Computing in Applied Probability, 2018, v. 20, n. 3, p. 1029, doi. 10.1007/s11009-016-9503-x

By:

Wang, Tiandong;
Resnick, Sidney I.

Publication type:

Article

Number of Jumps in Two-Sided First-Exit Problems for a Compound Poisson Process.

Published in:

Methodology & Computing in Applied Probability, 2016, v. 18, n. 3, p. 747, doi. 10.1007/s11009-015-9453-8

By:

Li, Shuanming;
Lu, Yi;
Jin, Can

Publication type:

Article

Empirical Mark Covariance and Product Density Function of Stationary Marked Point Processes-A Survey on Asymptotic Results.

Published in:

Methodology & Computing in Applied Probability, 2014, v. 16, n. 2, p. 283, doi. 10.1007/s11009-012-9314-7

By:

Heinrich, Lothar;
Klein, Stella;
Moser, Martin

Publication type:

Article

Exact Distribution of the Product of N Student's t RVs.

Published in:

Methodology & Computing in Applied Probability, 2012, v. 14, n. 4, p. 997, doi. 10.1007/s11009-011-9216-0

By:

Nadarajah, Saralees

Publication type:

Article

Exact and Asymptotically Optimal Bandwidths for Kernel Estimation of Density Functionals.

Published in:

Methodology & Computing in Applied Probability, 2012, v. 14, n. 3, p. 523, doi. 10.1007/s11009-011-9243-x

By:

Chacón, José;
Tenreiro, Carlos

Publication type:

Article

The First Passage Time Problem for Gauss-Diffusion Processes: Algorithmic Approaches and Applications to LIF Neuronal Model.

Published in:

Methodology & Computing in Applied Probability, 2011, v. 13, n. 1, p. 29, doi. 10.1007/s11009-009-9132-8

By:

Buonocore, Aniello;
Caputo, Luigia;
Pirozzi, Enrica;
Ricciardi, Luigi

Publication type:

Article

First Passage Densities and Boundary Crossing Probabilities for Diffusion Processes.

Published in:

Methodology & Computing in Applied Probability, 2008, v. 10, n. 4, p. 621, doi. 10.1007/s11009-008-9070-x

By:

Downes, Andrew;
Borovkov, Konstantin

Publication type:

Article

Approximating Perpetuities.

Published in:

Methodology & Computing in Applied Probability, 2008, v. 10, n. 4, p. 507, doi. 10.1007/s11009-007-9059-x

By:

Knape, Margarete;
Neininger, Ralph

Publication type:

Article

Editorial.

Published in:

2007

By:

Manca, Raimondo

Publication type:

Editorial

On the Asymptotic Behavior of First Passage Time Densities for Stationary Gaussian Processes and Varying Boundaries.

Published in:

Methodology & Computing in Applied Probability, 2003, v. 5, n. 2, p. 211, doi. 10.1023/A:1024561819675

By:

Di Nardo, E.;
Nobile, A. G.;
Pirozzi, E.;
Ricciardi, L. M.

Publication type:

Article

Experimental and theoretical studying the thermolysis of nitrate.

Published in:

Journal of Thermal Analysis & Calorimetry, 2008, v. 91, n. 2, p. 359, doi. 10.1007/s10973-007-8360-9

By:

Zeng, X. L.;
Chen, W. H.;
Liu, J. C.;
Kan, J. L.

Publication type:

Article

Structure and dielectric characteristics of epitaxially strained BaTiO3 thin films.

Published in:

Journal of Materials Science: Materials in Electronics, 2008, v. 19, n. 5, p. 466, doi. 10.1007/s10854-007-9364-8

By:

Jin-Long Tang;
Jun Zhu;
Wen-Feng Qin;
Jie Xiong;
Yan-Rong Li

Publication type:

Article

Stability of impurity–vacancy pairs in germanium carbide.

Published in:

Journal of Materials Science: Materials in Electronics, 2008, v. 19, n. 1, p. 25, doi. 10.1007/s10854-007-9132-9

By:

Chroneos, Alexander

Publication type:

Article

Local vibrational modes of N2−O n defects in Cz-Silicon.

Published in:

Journal of Materials Science: Materials in Electronics, 2007, v. 18, n. 7, p. 683, doi. 10.1007/s10854-006-9097-0

By:

Fujita, Naomi;
Jones, Robert;
Öberg, Sven;
Briddon, Patrick

Publication type:

Article

Ab initio investigation of charge transfer technique for control of Schottky contacts in CNTs.

Published in:

Journal of Materials Science: Materials in Electronics, 2007, v. 18, n. 7, p. 729, doi. 10.1007/s10854-007-9117-8

By:

Casterman, D.;
Souza, M.

Publication type:

Article

Atomic scale simulations of donor–vacancy pairs in germanium.

Published in:

Journal of Materials Science: Materials in Electronics, 2007, v. 18, n. 7, p. 763, doi. 10.1007/s10854-006-9073-8

By:

Chroneos, A.;
Grimes, R.;
Tsamis, C.

Publication type:

Article

Understanding of dielectric properties of cellulose.

Published in:

Cellulose, 2024, v. 31, n. 5, p. 2783, doi. 10.1007/s10570-024-05754-7

By:

Yadav, Asha;
Boström, Mathias;
Malyi, Oleksandr I.

Publication type:

Article

Polarization, Inequality, and Growth: The Indian Experience.

Published in:

Oxford Development Studies, 2014, v. 42, n. 3, p. 297, doi. 10.1080/13600818.2014.897319

By:

Motiram, Sripad;
Sarma, Nayantara

Publication type:

Article

Approximation of Asymmetric Multivariate Return Distributions.

Published in:

Asia-Pacific Financial Markets, 2012, v. 19, n. 3, p. 293, doi. 10.1007/s10690-011-9150-8

By:

Chu, Ba

Publication type:

Article

What is the Natural Scale for a Lévy Process in Modelling Term Structure of Interest Rates?

Published in:

Asia-Pacific Financial Markets, 2006, v. 13, n. 4, p. 299, doi. 10.1007/s10690-007-9046-9

By:

Akahori, Jirô;
Tsuchiya, Takahiro

Publication type:

Article

Atomic and Electronic Interface Structure of a VN Hard Coating on MgO.

Published in:

2011

By:

Zhang, Z;
Dehm, G;
Rashkova, B;
Lazar, P;
Redinger, J;
Podloucky, R

Publication type:

Abstract

Antiproliferative activity of new derivatives of pyrazino[1,2‐a]benzimidazole: Integrated cell‐based assay and computational studies with divalent magnesium, iron, and copper ions.

Published in:

Journal of Biochemical & Molecular Toxicology, 2022, v. 36, n. 10, p. 1, doi. 10.1002/jbt.23155

By:

Rahimifard, Mahban;
Jalalimanesh, Nafiseh;
Movahed, Mahsa A.;
Hadjighassem, Mahmoudreza;
Pourahmad Jaktaji, Razieh;
Bagheri, Zeinab;
Pourahmad, Jalal;
Zarghi, Afshin

Publication type:

Article