Brian Space

Brian Space

UNVERIFIED PROFILE

Are you Brian Space?   Register this Author

Register author
Brian Space

Brian Space

Publications by authors named "Brian Space"

Are you Brian Space?   Register this Author

68Publications

701Reads

6Profile Views

Robust Microporous Metal-Organic Frameworks for Highly Efficient and Simultaneous Removal of Propyne and Propadiene from Propylene.

Angew Chem Int Ed Engl 2019 Jul 24;58(30):10209-10214. Epub 2019 Jun 24.

Department of Chemistry, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX, 78249-0698, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/anie.201904312DOI Listing
July 2019

A Metal-Organic Framework Based Methane Nano-trap for the Capture of Coal-Mine Methane.

Angew Chem Int Ed Engl 2019 Jul 22;58(30):10138-10141. Epub 2019 May 22.

Department of Chemistry, University of South Florida, 4202 E. Fowler Avenue, Tampa, FL, 33620, USA.

View Article

Download full-text PDF

Source
http://doi.wiley.com/10.1002/anie.201904507
Publisher Site
http://dx.doi.org/10.1002/anie.201904507DOI Listing
July 2019

Molecular Sieving and Direct Visualization of CO in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.

ACS Appl Mater Interfaces 2019 Jul 20;11(26):23192-23197. Epub 2019 Jun 20.

Department of Chemical Sciences, Bernal Institute , University of Limerick , Limerick V94T9PX , Republic of Ireland.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/acsami.9b04619DOI Listing
July 2019

Highly selective CO removal for one-step liquefied natural gas processing by physisorbents.

Chem Commun (Camb) 2019 Mar;55(22):3219-3222

Bernal Institute, Department of Chemical Sciences, University of Limerick, Limerick, Republic of Ireland.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c9cc00626eDOI Listing
March 2019

Robust Ultramicroporous Metal-Organic Frameworks with Benchmark Affinity for Acetylene.

Angew Chem Int Ed Engl 2018 Aug 20;57(34):10971-10975. Epub 2018 Jul 20.

College of Chemistry, Nankai University, Tianjin, 300071, China.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/anie.201806732DOI Listing
August 2018

A Stable Metal-Organic Framework Featuring a Local Buffer Environment for Carbon Dioxide Fixation.

Angew Chem Int Ed Engl 2018 04 15;57(17):4657-4662. Epub 2018 Mar 15.

Department of Chemistry, University of South Florida, Tampa, FL, 33620, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/anie.201801122DOI Listing
April 2018

Impact of partial interpenetration in a hybrid ultramicroporous material on CH/CH separation performance.

Chem Commun (Camb) 2018 Apr;54(28):3488-3491

Bernal Institute, Department of Chemical Sciences, University of Limerick, Limerick, V94 T9PX, Ireland.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/C8CC01627EDOI Listing
April 2018

Readily accessible shape-memory effect in a porous interpenetrated coordination network.

Sci Adv 2018 04 27;4(4):eaaq1636. Epub 2018 Apr 27.

Department of Chemical Sciences, Bernal Institute, University of Limerick, Limerick, Republic of Ireland.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1126/sciadv.aaq1636DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5922793PMC
April 2018

Efficient CO Removal for Ultra-Pure CO Production by Two Hybrid Ultramicroporous Materials.

Angew Chem Int Ed Engl 2018 03 22;57(13):3332-3336. Epub 2018 Feb 22.

Bernal Institute, Department of Chemical Sciences, University of Limerick, Limerick, Republic of Ireland.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/anie.201706090DOI Listing
March 2018

Simulations of hydrogen, carbon dioxide, and small hydrocarbon sorption in a nitrogen-rich rht-metal-organic framework.

Phys Chem Chem Phys 2018 Jan;20(3):1761-1777

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, FL 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c7cp06885aDOI Listing
January 2018

Investigating gas sorption in an rht-metal-organic framework with 1,2,3-triazole groups.

Phys Chem Chem Phys 2017 Nov;19(43):29204-29221

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, FL 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c7cp06128eDOI Listing
November 2017

Highly Selective Separation of CH from CO by a New Dichromate-Based Hybrid Ultramicroporous Material.

ACS Appl Mater Interfaces 2017 Oct 27;9(39):33395-33400. Epub 2017 Jan 27.

Bernal Institute, Department of Chemical Sciences, University of Limerick , Limerick, Republic of Ireland.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/acsami.6b15250DOI Listing
October 2017

The effect of centred versus offset interpenetration on CH sorption in hybrid ultramicroporous materials.

Chem Commun (Camb) 2017 Oct;53(84):11592-11595

Department of Chemical Sciences and Bernal Institute, University of Limerick, Republic of Ireland.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c7cc05882aDOI Listing
October 2017

Fine Tuning of MOF-505 Analogues To Reduce Low-Pressure Methane Uptake and Enhance Methane Working Capacity.

Angew Chem Int Ed Engl 2017 09 9;56(38):11426-11430. Epub 2017 Aug 9.

State Key Laboratory of Coordination Chemistry, Collaborative Innovation Center of Advanced Microstructures, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210093, China.

View Article

Download full-text PDF

Source
http://doi.wiley.com/10.1002/anie.201704974
Publisher Site
http://dx.doi.org/10.1002/anie.201704974DOI Listing
September 2017

Predictive models of gas sorption in a metal-organic framework with open-metal sites and small pore sizes.

Phys Chem Chem Phys 2017 Jul;19(28):18587-18602

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, Florida 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c7cp02767bDOI Listing
July 2017

The rotational dynamics of H adsorbed in covalent organic frameworks.

Phys Chem Chem Phys 2017 May;19(20):13075-13082

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, FL 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c7cp00924kDOI Listing
May 2017

Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.

Chem Sci 2017 Mar 19;8(3):2373-2380. Epub 2016 Dec 19.

Physical and Computational Science Directorate , Pacific Northwest National Laboratory , Richland , WA 99352 , USA . Email:

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c6sc05012cDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5364996PMC
March 2017

Theoretical Investigations of CO and H Sorption in Robust Molecular Porous Materials.

Langmuir 2016 11 24;32(44):11492-11505. Epub 2016 Oct 24.

Department of Chemistry, University of South Florida , 4202 East Fowler Avenue, CHE205, Tampa, Florida 33620-5250, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.langmuir.6b03161DOI Listing
November 2016

Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds.

IUCrJ 2016 Nov 18;3(Pt 6):430-439. Epub 2016 Oct 18.

Department of Chemical Sciences, Bernal Institute, University of Limerick , Co. Limerick, Ireland.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1107/S2052252516015633DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5094445PMC
November 2016

An unusual H2 sorption mechanism in PCN-14: insights from molecular simulation.

Phys Chem Chem Phys 2016 Aug;18(31):21421-30

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, FL 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c6cp02650hDOI Listing
August 2016

Tuning Pore Size in Square-Lattice Coordination Networks for Size-Selective Sieving of CO2.

Angew Chem Int Ed Engl 2016 08 21;55(35):10268-72. Epub 2016 Jul 21.

Department of Chemical & Environmental Sciences, Bernal Institute, University of Limerick, Plassey House, Limerick, Republic of Ireland.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/anie.201603934DOI Listing
August 2016

Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers.

Chem Sci 2016 Aug 10;7(8):5470-5476. Epub 2016 May 10.

Bernal Institute , Department of Chemical and Environmental Science , University of Limerick , Republic of Ireland . Email:

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c6sc01385fDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6021753PMC
August 2016

Hybrid Ultra-Microporous Materials for Selective Xenon Adsorption and Separation.

Angew Chem Int Ed Engl 2016 07 30;55(29):8285-9. Epub 2016 May 30.

Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland, WA, 99352, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/anie.201602287DOI Listing
July 2016

Dynamics of H2 adsorbed in porous materials as revealed by computational analysis of inelastic neutron scattering spectra.

Phys Chem Chem Phys 2016 Jun;18(26):17141-58

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, FL 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c6cp01863gDOI Listing
June 2016

Exceptional H2 sorption characteristics in a Mg(2+)-based metal-organic framework with small pores: insights from experimental and theoretical studies.

Phys Chem Chem Phys 2016 Jan 17;18(3):1786-96. Epub 2015 Dec 17.

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, FL 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c5cp05906bDOI Listing
January 2016

Correction: Hydrophobic pillared square grids for selective removal of CO2 from simulated flue gas.

Chem Commun (Camb) 2015 Dec 4;51(94):16872. Epub 2015 Nov 4.

Chemistry Department, Faculty of Science, Alexandria University, P.O. Box 426 Ibrahimia, Alexandria 21321, Egypt.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c5cc90503fDOI Listing
December 2015

Hydrophobic pillared square grids for selective removal of CO2 from simulated flue gas.

Chem Commun (Camb) 2015 Nov 8;51(85):15530-3. Epub 2015 Sep 8.

Chemistry Department, Faculty of Science, Alexandria University, P.O. Box 426 Ibrahimia, Alexandria 21321, Egypt.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c5cc06577aDOI Listing
November 2015

Novel mode of 2-fold interpenetration observed in a primitive cubic network of formula [Ni(1,2-bis(4-pyridyl)acetylene)2(Cr2O7)]n.

Chem Commun (Camb) 2015 Oct;51(80):14832-5

Department of Chemical and Environmental Science, Materials and Surface Science Institute, University of Limerick, Republic of Ireland.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c5cc05866jDOI Listing
October 2015

Theoretical Insights into the Tuning of Metal Binding Sites of Paddlewheels in rht-Metal-Organic Frameworks.

Chemphyschem 2015 Oct 25;16(15):3170-9. Epub 2015 Aug 25.

Department of Chemistry, University of South Florida, 4202 E. Fowler Ave., CHE205, Tampa, FL, 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/cphc.201500504DOI Listing
October 2015

Time Correlation Function Modeling of Third-Order Sum Frequency Vibrational Spectroscopy of a Charged Surface/Water Interface.

J Phys Chem B 2015 Jul 4;119(29):9219-24. Epub 2014 Dec 4.

Department of Chemistry, University of South Florida, Tampa, Florida 33620-5250, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/jp509647wDOI Listing
July 2015

Investigating H₂ Sorption in a Fluorinated Metal-Organic Framework with Small Pores Through Molecular Simulation and Inelastic Neutron Scattering.

Langmuir 2015 Jul 24;31(26):7328-36. Epub 2015 Jun 24.

†Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, Florida 33620-5250, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.langmuir.5b01664DOI Listing
July 2015

The local electric field favours more than exposed nitrogen atoms on CO2 capture: a case study on the rht-type MOF platform.

Chem Commun (Camb) 2015 Jun;51(47):9636-9

Department of Chemistry, University of South Florida, 4202 E. Flower Avenue, Tampa, Florida 33620, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c5cc02573gDOI Listing
June 2015

Highly selective adsorption of ethylene over ethane in a MOF featuring the combination of open metal site and π-complexation.

Chem Commun (Camb) 2015 Feb;51(13):2714-7

Department of Chemistry, University of South Florida, 4202 E. Fowler Avenue, Tampa, FL 33620, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c4cc09774bDOI Listing
February 2015

A high rotational barrier for physisorbed hydrogen in an fcu-metal-organic framework.

Chem Commun (Camb) 2014 Nov;50(91):14109-12

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, FL 33620, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c4cc05987eDOI Listing
November 2014

Insights into an intriguing gas sorption mechanism in a polar metal-organic framework with open-metal sites and narrow channels.

Chem Commun (Camb) 2014 Jul;50(55):7283-6

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, FL 33620, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c4cc03070bDOI Listing
July 2014

Theoretical investigations of CO₂ and CH₄ sorption in an interpenetrated diamondoid metal-organic material.

Langmuir 2014 Jun 29;30(22):6454-62. Epub 2014 May 29.

Department of Chemistry, University of South Florida , 4202 East Fowler Avenue CHE205, Tampa, Florida 33620-5250, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/la500967wDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4055056PMC
June 2014

Introduction of π-complexation into porous aromatic framework for highly selective adsorption of ethylene over ethane.

J Am Chem Soc 2014 Jun 5;136(24):8654-60. Epub 2014 Jun 5.

Department of Chemistry, University of South Florida , 4202 E. Fowler Avenue, Tampa, Florida 33620, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ja502119zDOI Listing
June 2014

Putting the squeeze on CH4 and CO2 through control over interpenetration in diamondoid nets.

J Am Chem Soc 2014 Apr 24;136(13):5072-7. Epub 2014 Mar 24.

Department of Chemistry, CHE205, University of South Florida , 4202 East Fowler Avenue, Tampa, Florida 33620, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ja500005kDOI Listing
April 2014

A Polarizable and Transferable PHAST CO2 Potential for Materials Simulation.

J Chem Theory Comput 2013 Dec 22;9(12):5421-9. Epub 2013 Nov 22.

Department of Chemistry, University of South Florida , 4202 East Fowler Avenue, CHE 205, Tampa, Florida 33620-5250, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ct400549qDOI Listing
December 2013

A Polarizable and Transferable PHAST N2 Potential for Use in Materials Simulation.

J Chem Theory Comput 2013 Dec 22;9(12):5550-7. Epub 2013 Nov 22.

Department of Chemistry, University of South Florida , 4202 E. Fowler Ave., CHE205, Tampa, Florida 33620-5250, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ct400526aDOI Listing
December 2013

Efficient calculation of many-body induced electrostatics in molecular systems.

J Chem Phys 2013 Nov;139(18):184112

Department of Chemistry, University of South Florida, 4202 E. Fowler Ave., CHE205, Tampa, Florida 33620, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.4829144DOI Listing
November 2013

Pillar substitution modulates CO2 affinity in "mmo" topology networks.

Chem Commun (Camb) 2013 Oct;49(84):9809-11

Department of Chemistry, CHE205, University of South Florida, 4202 E. Fowler Avenue, Tampa, FL 33620, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1039/c3cc44745fDOI Listing
October 2013

A robust molecular porous material with high CO2 uptake and selectivity.

J Am Chem Soc 2013 Jul 22;135(30):10950-3. Epub 2013 Jul 22.

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, Florida 33620, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ja4054948DOI Listing
July 2013

Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation.

Nature 2013 Mar 27;495(7439):80-4. Epub 2013 Feb 27.

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, Tampa, Florida 33620, USA.

View Article

Download full-text PDF

Source
http://www.nature.com/articles/nature11893
Publisher Site
http://dx.doi.org/10.1038/nature11893DOI Listing
March 2013

Enhancement of CO2 selectivity in a pillared pcu MOM platform through pillar substitution.

Chem Commun (Camb) 2013 Feb;49(16):1606-8

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, FL 33620, USA.

View Article

Download full-text PDF

Source
http://www.rsc.org/suppdata/cc/c3/c3cc37695h/c3cc37695h.pdf
Web Search
http://xlink.rsc.org/?DOI=c3cc37695h
Publisher Site
http://dx.doi.org/10.1039/c3cc37695hDOI Listing
February 2013

Highly selective CO2 uptake in uninodal 6-connected "mmo" nets based upon MO4(2-) (M = Cr, Mo) pillars.

J Am Chem Soc 2012 Dec 21;134(48):19556-9. Epub 2012 Nov 21.

Department of Chemistry, CHE205, University of South Florida, 4202 East Fowler Avenue, Tampa, Florida 33620, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ja309452yDOI Listing
December 2012

Hydrogen adsorbed in a metal organic framework-5: coupled translation-rotation eigenstates from quantum five-dimensional calculations.

J Chem Phys 2012 Jul;137(1):014701

Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.4730906DOI Listing
July 2012

A molecular H2 potential for heterogeneous simulations including polarization and many-body van der Waals interactions.

J Chem Phys 2012 May;136(19):194302

Department of Chemistry, University of South Florida, 4202 E. Fowler Ave., CHE205, Tampa, Florida 33620, USA.

View Article

Download full-text PDF

Source
http://aip.scitation.org/doi/10.1063/1.4717705
Publisher Site
http://dx.doi.org/10.1063/1.4717705DOI Listing
May 2012

A theoretical study of the sum frequency vibrational spectroscopy of the carbon tetrachloride/water interface.

J Phys Condens Matter 2012 Mar 6;24(12):124108. Epub 2012 Mar 6.

Department of Chemistry, University of South Florida, Tampa, FL 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1088/0953-8984/24/12/124108DOI Listing
March 2012

Understanding hydrogen sorption in a polar metal-organic framework with constricted channels.

J Chem Phys 2012 Jan;136(3):034705

Department of Chemistry, University of South Florida, 4202 E. Fowler Ave., CHE205 Tampa, Florida 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.3668138DOI Listing
January 2012

Characterization of Tunable Radical Metal-Carbenes: Key Intermediates in Catalytic Cyclopropanation.

Organometallics 2011 Apr;30(10):2739-2746

Department of Chemistry, University of South Florida, 4202 E. Fowler Ave., CHE205, Tampa, FL 33620-5250.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/om2001348DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3105361PMC
April 2011

Atomic charges derived from electrostatic potentials for molecular and periodic systems.

J Phys Chem A 2010 Sep;114(37):10225-33

National Energy Technology Laboratory, Pittsburgh, Pennsylvania 15236, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/jp103944qDOI Listing
September 2010

Photophysical studies of the trans to cis isomerization of the push-pull molecule: 1-(pyridin-4-yl)-2-(N-methylpyrrol-2-yl)ethene (mepepy).

J Phys Chem A 2008 Sep 14;112(36):8310-5. Epub 2008 Aug 14.

Department of Chemistry, University of South Florida, 4202 E. Fowler Avenue, Tampa, Florida 33620, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/jp803268rDOI Listing
September 2008

An Accurate and Transferable Intermolecular Diatomic Hydrogen Potential for Condensed Phase Simulation.

J Chem Theory Comput 2008 Aug;4(8):1332-7

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, Florida 33620-5250.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ct800155qDOI Listing
August 2008

On the mechanism of hydrogen storage in a metal-organic framework material.

J Am Chem Soc 2007 Dec 14;129(49):15202-10. Epub 2007 Nov 14.

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, Florida 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ja0737164DOI Listing
December 2007

A time correlation function theory describing static field enhanced third order optical effects at interfaces.

J Chem Phys 2006 Dec;125(22):224706

Department of Chemistry, University of South Florida, Tampa, Florida 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.2397687DOI Listing
December 2006

Time correlation function and finite field approaches to the calculation of the fifth order Raman response in liquid xenon.

J Chem Phys 2006 Dec;125(23):234501

Center for Molecular Modeling, Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, USA.

View Article

Download full-text PDF

Source
http://aip.scitation.org/doi/10.1063/1.2403129
Publisher Site
http://dx.doi.org/10.1063/1.2403129DOI Listing
December 2006

Theoretical modeling of interface specific vibrational spectroscopy: methods and applications to aqueous interfaces.

Chem Rev 2006 Apr;106(4):1234-58

Department of Chemistry, University of South Florida, Tampa, Florida 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/cr040379yDOI Listing
April 2006

Theoretical investigation of the temperature dependence of the fifth-order Raman response function of fluid and liquid xenon.

J Phys Chem B 2006 Mar;110(8):3773-81

Center for Molecular Modeling, Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/jp055275lDOI Listing
March 2006

Applications of a time correlation function theory for the fifth-order Raman response function I: atomic liquids.

J Chem Phys 2005 Nov;123(19):194507

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, SCA400, Tampa, FL 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.2038768DOI Listing
November 2005

A theoretical description of the polarization dependence of the sum frequency generation spectroscopy of the water/vapor interface.

J Chem Phys 2005 Oct;123(14):144705

Department of Chemistry, University of South Florida, Tampa, Florida 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.2046630DOI Listing
October 2005

Identification of a wagging vibrational mode of water molecules at the water/vapor interface.

Phys Rev E Stat Nonlin Soft Matter Phys 2005 May 31;71(5 Pt 1):050601. Epub 2005 May 31.

Department of Chemistry, University of South Florida, 4202 E. Fowler Ave., SCA400, Tampa, FL 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1103/PhysRevE.71.050601DOI Listing
May 2005

Tractable theory of nonlinear response and multidimensional nonlinear spectroscopy.

Phys Rev E Stat Nonlin Soft Matter Phys 2004 Nov 16;70(5 Pt 1):050101. Epub 2004 Nov 16.

Department of Chemistry, University of South Florida, 4202 E. Fowler Avenue, SCA400, Tampa, FL 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1103/PhysRevE.70.050101DOI Listing
November 2004

A time correlation function theory of two-dimensional infrared spectroscopy with applications to liquid water.

J Chem Phys 2004 Aug;121(8):3688-701

Department of Chemistry, University of South Florida, SCA400 Tampa, Florida 33620-5250, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.1776119DOI Listing
August 2004