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Nanomaterials: design and simulation

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Bibliographic Details
Format:	Book
Language:	English
Published:	Amsterdam [u.a.] Elsevier 2007
Edition:	1. ed.
Series:	Theoretical and computational chemistry 18
Subjects:	Molekulardesign Nanostrukturiertes Material Nanostructured materials > Design Nanostructured materials > Computer simulation
Online Access:	Publisher description Inhaltsverzeichnis
Physical Description:	VII, 319 S. Ill., graph. Darst.
ISBN:	0444528261 9780444528261

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adam_text	THEORETICAL AND COMPUTATIONAL CHEMISTRY NANOMATERIALS: DESIGN AND SIMULATION EDITED BY PERLA B. BALBUENA JORGE M. SEMINARIO DEPARTMENT OF CHEMICAL ENGINEERING AND DEPARTMENT OF ELECTRICAL AND COMPUTER ENGINEERING TEXAS A&M UNIVERSITY COLLEGE STATION, TEXAS, USA. ELSEVIER AMSTERDAM * BOSTON * HEIDELBERG * LONDON * NEW YORK * OXFORD PARIS * SAN DIEGO * SAN FRANCISCO * SINGAPORE * SYDNEY * TOKYO CONTENTS PREFACE VII 1 ELECTRICAL CHARACTERISTICS OF BULK-MOLECULE INTERFACES 1 PERLA B. BALBUENA, LINA R. SAENZ, CAROLINA HERRERA, AND JORGE M. SEMINARIO 2 STRUCTURAL PROPERTIES OF PURE AND BINARY NANOCLUSTERS INVESTIGATED BY COMPUTER SIMULATIONS 35 GIULIA ROSSI AND RICCARDO FERRANDO 3 COMPUTER SIMULATION OF THE SOLID-LIQUID PHASE TRANSITION IN ALKALI METAL NANOPARTICLES 59 ANDRES AGUADO AND JOSE M. LOPEZ 4 MULTISCALE MODELING OF THE SYNTHESIS OF QUANTUM NANODOTS AND THEIR ARRAYS 85 NARAYAN ADHIKARI, XIHONG PENG, AZAR ALIZADEH, SAROJ NAYAK, AND SANAT K. KUMAR 5 STRUCTURAL CHARACTERIZATION OF NANO- AND MESOPOROUS MATERIALS BY MOLECULAR SIMULATIONS 101 LOURDES F. VEGA 6 HYDROGEN ADSORPTION IN CORANNULENE-BASED MATERIALS 127 YINGCHUN ZHANG, LAWRENCE G. SCANION, AND PERLA B. BALBUENA 7 TOWARD NANOMATERIALS: STRUCTURAL, ENERGETIC AND REACTIVITY ASPECTS OF SINGLE-WALLED CARBON NANOTUBES 167 T. C. DINADAYALANE AND JERZY LESZCZYNSKI 8 THERMAL STABILITY OF CARBON NANOSYSTEMS: MOLECULAR-DYNAMICS SIMULATIONS 201 SAKIR ERKOC, OSMAN BARIS MALCIOGLU AND EMRE TASCI 9 MODELING AND SIMULATIONS OF CARBON NANOTUBES 227 ALPER BULDUM 10 NANO-CONFINED WATER 245 ALBERTO STRIOLO V VI CONTENTS 11 AB INITIO SIMULATIONS OF PHOTOINDUCED MOLECULE-SEMICONDUCTOR ELECTRON TRANSFER 275 WALTER R. DUNCAN, WILLIAM STIER AND OLEG V. PREZHDO 12 NANO-PARTICULATE PHOTOCATALYSTS FOR OVERALL WATER SPLITTING UNDER VISIBLE LIGHT 301 KAZUHIKO MAEDA AND KAZUNARI DOMEN INDEX 317
adam_txt	THEORETICAL AND COMPUTATIONAL CHEMISTRY NANOMATERIALS: DESIGN AND SIMULATION EDITED BY PERLA B. BALBUENA JORGE M. SEMINARIO DEPARTMENT OF CHEMICAL ENGINEERING AND DEPARTMENT OF ELECTRICAL AND COMPUTER ENGINEERING TEXAS A&M UNIVERSITY COLLEGE STATION, TEXAS, USA. ELSEVIER AMSTERDAM * BOSTON * HEIDELBERG * LONDON * NEW YORK * OXFORD PARIS * SAN DIEGO * SAN FRANCISCO * SINGAPORE * SYDNEY * TOKYO CONTENTS PREFACE VII 1 ELECTRICAL CHARACTERISTICS OF BULK-MOLECULE INTERFACES 1 PERLA B. BALBUENA, LINA R. SAENZ, CAROLINA HERRERA, AND JORGE M. SEMINARIO 2 STRUCTURAL PROPERTIES OF PURE AND BINARY NANOCLUSTERS INVESTIGATED BY COMPUTER SIMULATIONS 35 GIULIA ROSSI AND RICCARDO FERRANDO 3 COMPUTER SIMULATION OF THE SOLID-LIQUID PHASE TRANSITION IN ALKALI METAL NANOPARTICLES 59 ANDRES AGUADO AND JOSE M. LOPEZ 4 MULTISCALE MODELING OF THE SYNTHESIS OF QUANTUM NANODOTS AND THEIR ARRAYS 85 NARAYAN ADHIKARI, XIHONG PENG, AZAR ALIZADEH, SAROJ NAYAK, AND SANAT K. KUMAR 5 STRUCTURAL CHARACTERIZATION OF NANO- AND MESOPOROUS MATERIALS BY MOLECULAR SIMULATIONS 101 LOURDES F. VEGA 6 HYDROGEN ADSORPTION IN CORANNULENE-BASED MATERIALS 127 YINGCHUN ZHANG, LAWRENCE G. SCANION, AND PERLA B. BALBUENA 7 TOWARD NANOMATERIALS: STRUCTURAL, ENERGETIC AND REACTIVITY ASPECTS OF SINGLE-WALLED CARBON NANOTUBES 167 T. C. DINADAYALANE AND JERZY LESZCZYNSKI 8 THERMAL STABILITY OF CARBON NANOSYSTEMS: MOLECULAR-DYNAMICS SIMULATIONS 201 SAKIR ERKOC, OSMAN BARIS MALCIOGLU AND EMRE TASCI 9 MODELING AND SIMULATIONS OF CARBON NANOTUBES 227 ALPER BULDUM 10 NANO-CONFINED WATER 245 ALBERTO STRIOLO V VI CONTENTS 11 AB INITIO SIMULATIONS OF PHOTOINDUCED MOLECULE-SEMICONDUCTOR ELECTRON TRANSFER 275 WALTER R. DUNCAN, WILLIAM STIER AND OLEG V. PREZHDO 12 NANO-PARTICULATE PHOTOCATALYSTS FOR OVERALL WATER SPLITTING UNDER VISIBLE LIGHT 301 KAZUHIKO MAEDA AND KAZUNARI DOMEN INDEX 317
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spelling	Nanomaterials design and simulation ed. by Perla B. Balbuena ... 1. ed. Amsterdam [u.a.] Elsevier 2007 VII, 319 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Theoretical and computational chemistry 18 Molekulardesign swd Nanostrukturiertes Material swd Nanostructured materials Design Nanostructured materials Computer simulation Balbuena, Perla B. Sonstige oth Theoretical and computational chemistry 18 (DE-604)BV010338492 18 http://www.loc.gov/catdir/enhancements/fy0664/2006048485-d.html Publisher description GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=014961955&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis
spellingShingle	Nanomaterials design and simulation Theoretical and computational chemistry Molekulardesign swd Nanostrukturiertes Material swd Nanostructured materials Design Nanostructured materials Computer simulation
title	Nanomaterials design and simulation
title_auth	Nanomaterials design and simulation
title_exact_search	Nanomaterials design and simulation
title_exact_search_txtP	Nanomaterials design and simulation
title_full	Nanomaterials design and simulation ed. by Perla B. Balbuena ...
title_fullStr	Nanomaterials design and simulation ed. by Perla B. Balbuena ...
title_full_unstemmed	Nanomaterials design and simulation ed. by Perla B. Balbuena ...
title_short	Nanomaterials
title_sort	nanomaterials design and simulation
title_sub	design and simulation
topic	Molekulardesign swd Nanostrukturiertes Material swd Nanostructured materials Design Nanostructured materials Computer simulation
topic_facet	Molekulardesign Nanostrukturiertes Material Nanostructured materials Design Nanostructured materials Computer simulation
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work_keys_str_mv	AT balbuenaperlab nanomaterialsdesignandsimulation

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