Beran, Gregory: шукати на сайті Z-Library

Chabalko, Christopher, Snyder, Richard, Beran, Phil, Parker, Gregory

Рік:

2012

Мова:

english

Файл:

PDF, 1.40 MB

english, 2012

[American Institute of Aeronautics and Astronautics 47th AIAA Aerospace Sciences Meeting including The New Horizons Forum and Aerospace Exposition - Orlando, Florida ()] 47th AIAA Aerospace Sciences Meeting including The New Horizons Forum and Aerospace Exposition - The Physics of an Optimized Flapping Wing Micro Air Vehicle

Рік:

2009

Мова:

english

Файл:

PDF, 1.84 MB

english, 2009

Symmetry breaking in benzene and larger aromatic molecules within generalized valence bond coupled cluster methods

Lawler, Keith V., Beran, Gregory J. O., Head-Gordon, Martin

Журнал:

Yang, Chen, Zhu, Lingyan, Kudla, Ryan A., Hartman, Joshua D., Al-Kaysi, Rabih O., Monaco, Stephen, Schatschneider, Bohdan, Magalhães, Alviclér, Beran, Gregory J. O., Bardeen, Christopher J., Mueller,

Рік:

2008

Мова:

english

Файл:

PDF, 940 KB

english, 2008

Modeling Polymorphic Molecular Crystals with Electronic Structure Theory

Beran, Gregory J. O.

Журнал:

Chemical Reviews

Рік:

2016

Мова:

english

Файл:

PDF, 4.26 MB

english, 2016

Crystal structure of the meta-stable intermediate in the photomechanical, crystal-to-crystal reaction of 9-tert-butyl anthracene ester

Журнал:

CrystEngComm

Рік:

2016

Мова:

english

Файл:

PDF, 4.27 MB

english, 2016

A Springloaded Metal-Ligand Mesocate Allows Access to Trapped Intermediates of Self-Assembly

Bogie, Paul M., Holloway, Lauren R., Lyon, Yana, Onishi, Nicole C., Beran, Gregory J. O., Julian, Ryan R., Hooley, Richard J.

Журнал:

Inorganic Chemistry

Рік:

2018

Мова:

english

Файл:

PDF, 2.89 MB

english, 2018

First-Principles Thermochemistry for the Production of TiO2 from TiCl4

West, Richard H., Beran, Gregory J. O., Green, William H., Kraft, Markus

Журнал:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Рік:

2007

Мова:

english

Файл:

PDF, 282 KB

english, 2007

Conductance of a conjugated molecule with carbon nanotube contacts

Bruque, Nicolas, Ashraf, M., Beran, Gregory, Helander, Thomas, Lake, Roger

Журнал:

Physical Review B

Рік:

2009

Мова:

english

Файл:

PDF, 1.02 MB

english, 2009

The evolution of the RCSB Protein Data Bank website

Philip E. Bourne, Bojan Beran, Chunxiao Bi, Wolfgang F. Bluhm, Dimitris Dimitropoulos, Zukang Feng, David S. Goodsell, Andreas Prlić, Gregory B. Quinn, Peter W. Rose, John Westbrook, Benjamin Yukich,

Журнал:

Рік:

2011

Мова:

english

Файл:

PDF, 263 KB

english, 2011

Accurate Molecular Crystal Lattice Energies from a Fragment QM/MM Approach with On-the-Fly Ab Initio Force Field Parametrization

Wen, Shuhao, Beran, Gregory J. O.

Журнал:

Smith, J. David, Crossley, Matthew J., Boomer, Joseph, Church, Barbara A., Beran, Michael J., Ashby, F. Gregory

Рік:

2011

Мова:

english

Файл:

PDF, 947 KB

english, 2011

Implicit and explicit category learning by capuchin monkeys (Cebus apella).

Журнал:

Journal of Comparative Psychology

Рік:

2012

Мова:

english

Файл:

PDF, 612 KB

english, 2012

Crystal Polymorphism in Oxalyl Dihydrazide: Is Empirical DFT-D Accurate Enough?

Wen, Shuhao, Beran, Gregory J. O.

Журнал:

Neuroscience & Biobehavioral Reviews

Рік:

2012

Мова:

english

Файл:

PDF, 620 KB

english, 2012

Implicit and explicit categorization: A tale of four species

J. David Smith, Mark E. Berg, Robert G. Cook, Matthew S. Murphy, Matthew J. Crossley, Joseph Boomer, Brian Spiering, Michael J. Beran, Barbara A. Church, F. Gregory Ashby, Randolph C. Grace

Журнал:

Рік:

2012

Мова:

english

Файл:

PDF, 713 KB

english, 2012

Boron Carbides as Efficient, Metal-Free, Visible-Light-Responsive Photocatalysts

Liu, Jikai, Wen, Shuhao, Hou, Yang, Zuo, Fan, Beran, Gregory J. O., Feng, Pingyun

Журнал:

Angewandte Chemie International Edition

Рік:

2013

Мова:

english

Файл:

PDF, 832 KB

english, 2013

Prediction of organic molecular crystal geometries from MP2-level fragment quantum mechanical/molecular mechanical calculations

Nanda, Kaushik D., Beran, Gregory J. O.

Журнал:

Beran, Gregory J. O., Nanda, Kaushik

Рік:

2012

Мова:

english

Файл:

PDF, 685 KB

english, 2012

Predicting Organic Crystal Lattice Energies with Chemical Accuracy

Журнал:

The Journal of Physical Chemistry Letters

Рік:

2010

Мова:

english

Файл:

PDF, 1.62 MB

english, 2010

Second-order correction to perfect pairing: An inexpensive electronic structure method for the treatment of strong electron-electron correlations

Beran, Gregory J. O., Head-Gordon, Martin, Gwaltney, Steven R.

Журнал:

Snyder, Richard, Beran, Philip, Parker, Gregory, Blair, Maxwell

Рік:

2006

Мова:

english

Файл:

PDF, 217 KB

english, 2006

[American Institute of Aeronautics and Astronautics 48th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference - Honolulu, Hawaii (23 April 2007 - 26 April 2007)] 48th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference - A Design Optimization Strategy for Micro Air Vehicles

Рік:

2007

Мова:

english

Файл:

PDF, 541 KB

english, 2007

Approaching closed-shell accuracy for radicals using coupled cluster theory with perturbative triple substitutions

Beran, Gregory J. O., Gwaltney, Steven R., Head-Gordon, Martin

Журнал:

Huang, Yuanhang, Shao, Yihan, Beran, Gregory J. O.

Рік:

2003

Мова:

english

Файл:

PDF, 153 KB

english, 2003

Accelerating MP2C dispersion corrections for dimers and molecular crystals

Журнал:

Wen, Shuhao, Beran, Gregory J. O.

Рік:

2013

Мова:

english

Файл:

PDF, 515 KB

english, 2013

Accidental Degeneracy in Crystalline Aspirin: New Insights from High-Level ab Initio Calculations

Журнал:

Crystal Growth & Design

Рік:

2012

Мова:

english

Файл:

PDF, 889 KB

english, 2012

Computational Investigation of Thermochemistry and Kinetics of Steam Methane Reforming on Ni(111) under Realistic Conditions

Blaylock, D. Wayne, Ogura, Teppei, Green, William H., Beran, Gregory J. O.

Журнал:

The Journal of Physical Chemistry C

Рік:

2009

Мова:

english

Файл:

PDF, 311 KB

english, 2009

[American Institute of Aeronautics and Astronautics 46th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics and Materials Conference - Austin, Texas ()] 46th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics and Materials Conference - The Role of Viscosity in Store-Induced Limit-Cycle Oscillation

Parker, Gregory, Maple, Raymond, Beran, Philip

Рік:

2005

Мова:

english

Файл:

PDF, 1.88 MB

english, 2005

[American Institute of Aeronautics and Astronautics 47th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference 14th AIAA/ASME/AHS Adaptive Structures Conference 7th - Newport, Rhode Island ()] 47th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference<BR> 14th AIAA/ASME/AHS Adaptive Structures Conference<BR> 7th - Analysis of Store Effects on Limit-Cycle Oscillation

Parker, Gregory, Maple, Raymond, Beran, Philip

Рік:

2006

Мова:

english

Файл:

PDF, 2.47 MB

english, 2006

[American Institute of Aeronautics and Astronautics 45th AIAA Aerospace Sciences Meeting and Exhibit - Reno, Nevada ()] 45th AIAA Aerospace Sciences Meeting and Exhibit - A Computational Design Framework for Flapping Micro Air Vehicles

Blair, Maxwell, Parker, Gregory, Beran, Philip, Snyder, Richard

Рік:

2007

Мова:

english

Файл:

PDF, 697 KB

english, 2007

[American Institute of Aeronautics and Astronautics 49th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition - Orlando, Florida ()] 49th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition - Multidisciplinary Optimization of a Hovering Wing with a Service-Oriented Framework and Experimental Model Validation

Bryson, Dean, Stanford, Bret, McClung, Aaron, Sims, Travis, Miranda, Jose, Beran, Philip, Parker, Gregory

Рік:

2011

Мова:

english

Файл:

PDF, 1.76 MB

english, 2011

Electrochemical Reduction of Quinones: Interfacing Experiment and Theory for Defining Effective Radii of Redox Moieties †

Bao, Duoduo, Ramu, Sangeetha, Contreras, Antonio, Upadhyayula, Srigokul, Vasquez, Jacob M., Beran, Gregory, Vullev, Valentine I.

Журнал:

Journal of Physical Chemistry B

Рік:

2010

Мова:

english

Файл:

PDF, 3.04 MB

english, 2010

Achieving High-Accuracy Intermolecular Interactions by Combining Coulomb-Attenuated Second-Order Møller–Plesset Perturbation Theory with Coupled Kohn–Sham Dispersion

Huang, Yuanhang, Goldey, Matthew, Head-Gordon, Martin, Beran, Gregory J. O.

Журнал:

Lee, Timothy J., Mejia, Cesar N., Beran, Gregory J. O., Head-Gordon, Martin

Рік:

2014

Мова:

english

Файл:

PDF, 1.31 MB

english, 2014

[American Institute of Aeronautics and Astronautics 51st AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition - Grapevine (Dallas/Ft. Worth Region), Texas ()] 51st AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition - Flapping Micro Air Vehicle: Wing Fabrication and Analysis

Dawson, Jaderic, Smith, Todd, Parker, Gregory, Huang, George, Beran, Philip

Рік:

2013

Мова:

english

Файл:

PDF, 1.19 MB

english, 2013

Search for Stratospheric Bromine Reservoir Species: Theoretical Study of the Photostability of Mono-, Tri-, and Pentacoordinated Bromine Compounds

Журнал:

Nanda, Kaushik D., Beran, Gregory J. O.

Рік:

2005

Мова:

english

Файл:

PDF, 145 KB

english, 2005

What Governs the Proton Ordering in Ice XV?

Журнал:

The Journal of Physical Chemistry Letters

Рік:

2013

Мова:

english

Файл:

PDF, 1.17 MB

english, 2013

Exploiting space-group symmetry in fragment-based molecular crystal calculations

Heit, Yonaton, Beran, Gregory J. O.

Журнал:

Journal of Computational Chemistry

Рік:

2014

Мова:

english

Файл:

PDF, 649 KB

english, 2014

On the Nature of Unrestricted Orbitals in Variational Active Space Wave Functions

Beran, Gregory J., Head-Gordon, Martin

Журнал:

Graham, David C., Beran, Gregory J. O., Head-Gordon, Martin, Christian, Gemma, Stranger, Robert, Yates, Brian F.

Рік:

2006

Мова:

english

Файл:

PDF, 126 KB

english, 2006

Nitrogen Activation via Three-Coordinate Molybdenum Complexes: Comparison of Density Functional Theory Performance with Wave Function Based Methods

Журнал:

Beran, Gregory J. O., Austin, Brian, Sodt, Alex, Head-Gordon, Martin

Рік:

2005

Мова:

english

Файл:

PDF, 245 KB

english, 2005

Unrestricted Perfect Pairing: The Simplest Wave-Function-Based Model Chemistry beyond Mean Field

Журнал:

West, Richard H., Celnik, Matthew S., Inderwildi, Oliver R., Kraft, Markus, Beran, Gregory J. O., Green, William H.

Рік:

2005

Мова:

english

Файл:

PDF, 180 KB

english, 2005

Toward a Comprehensive Model of the Synthesis of TiO 2 Particles from TiCl 4

Журнал:

Industrial & Engineering Chemistry Research

Рік:

2007

Мова:

english

Файл:

PDF, 277 KB

english, 2007

Boron Carbides as Efficient, Metal-Free, Visible-Light-Responsive Photocatalysts

Liu, Jikai, Wen, Shuhao, Hou, Yang, Zuo, Fan, Beran, Gregory J. O., Feng, Pingyun

Журнал:

Angewandte Chemie

Рік:

2013

Мова:

english

Файл:

PDF, 1.58 MB

english, 2013

Spatially Homogeneous QM/MM for Systems of Interacting Molecules with on-the-Fly ab Initio Force-Field Parametrization

Sebetci, Ali, Beran, Gregory J. O.

Журнал:

Rajabi, Khadijeh, Theel, Kelly, Gillis, Elizabeth A. L., Beran, Gregory, Fridgen, Travis D.

Рік:

2010

Мова:

english

Файл:

PDF, 394 KB

english, 2010

The Structure of the Protonated Adenine Dimer by Infrared Multiple Photon Dissociation Spectroscopy and Electronic Structure Calculations

Журнал:

Beran, Gregory J. O., Chronister, Eric L., Daemen, Luke L., Moehlig, Aaron R., Mueller, Leonard J., Oomens, Jos, Rice, Andrew, Santiago-Dieppa, David R., Tham, Fook S., Theel, Kelly, Yaghmaei, Sepideh

Рік:

2009

Мова:

english

Файл:

PDF, 4.34 MB

english, 2009

Vibrations of a chelated proton in a protonated tertiary diamine

Журнал:

Wen, Shuhao, Nanda, Kaushik, Huang, Yuanhang, Beran, Gregory J. O.

Рік:

2011

Мова:

english

Файл:

PDF, 3.20 MB

english, 2011

Practical quantum mechanics-based fragment methods for predicting molecular crystal properties

Журнал:

Hartman, Joshua D., Beran, Gregory J. O.

Рік:

2012

Мова:

english

Файл:

PDF, 2.08 MB

english, 2012

Fragment-Based Electronic Structure Approach for Computing Nuclear Magnetic Resonance Chemical Shifts in Molecular Crystals

Журнал:

Beran, Gregory J. O., Head-Gordon, Martin

Рік:

2014

Мова:

english

Файл:

PDF, 1.70 MB

english, 2014

Extracting dominant pair correlations from many-body wave functions

Журнал:

Beran, Gregory J. O., Gwaltney, Steven R., Head-Gordon, Martin

Рік:

2004

Мова:

english

Файл:

PDF, 507 KB

english, 2004

Can coupled cluster singles and doubles be approximated by a valence active space model?

Журнал:

Influenza and Other Respiratory Viruses

Рік:

2002

Мова:

english

Файл:

PDF, 334 KB

english, 2002

Influenza symptoms and their impact on elderly adults: randomised trial of AS03-adjuvanted or non-adjuvanted inactivated trivalent seasonal influenza vaccines

van Essen, Gerrit A., Beran, Jiri, Devaster, Jeanne-Marie, Durand, Christelle, Duval, Xavier, Esen, Meral, Falsey, Ann R., Feldman, Gregory, Gervais, Pierre, Innis, Bruce L., Kovac, Martina, Launay, O

Журнал:

Рік:

2014

Мова:

english

Файл:

PDF, 276 KB

english, 2014

Calculation of Complex Bio- and Organic Systems: From Ground-State Reactivity and Spectroscopy to Excited-State Dynamics

Dreuw, Andreas, Beran, Gregory J. O., Neugebauer, Johannes

Журнал:

ChemPhysChem

Рік:

2014

Мова:

english

Файл:

PDF, 589 KB

english, 2014

Communication: Constructing an implicit quantum mechanical/molecular mechanics solvent model by coarse-graining explicit solvent

Theel, Kelly L., Wen, Shuhao, Beran, Gregory J. O.

Журнал:

Merrett, Christopher D., McKinney, Joseph A., Andrew, Caroline, Jockel, Joseph T., Beran, Carol L., Millard, Gregory, Porterfield, Amanda

Рік:

2013

Мова:

english

Файл:

PDF, 489 KB

english, 2013

Book Reviews

Журнал:

The American Review of Canadian Studies

Рік:

2002

Мова:

english

Файл:

PDF, 1.01 MB

english, 2002

A New Era for ab initio Molecular Crystal Lattice Energy Prediction

Beran, Gregory J. O.

Журнал:

Angewandte Chemie International Edition

Рік:

2014

Мова:

english

Файл:

PDF, 538 KB

english, 2014

Approximating quantum many-body intermolecular interactions in molecular clusters using classical polarizable force fields

Beran, Gregory J. O.

Журнал: