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Part I: Introduction to Computational Methods Used in Gaussian 09 PowerPoint PPT Presentation

Part I: Introduction to Computational Methods Used in Gaussian 09 - ... GFPrint Guess GVB HF Huckel INDO Integral IOp IRC ADMP AM1 Amber B3LYP BD BOMD CacheSize CASSCF CBSExtrapolate CCD, CCSD Charge ChkBasis CID, CISD CIS, CIS(D) ...

... GFPrint Guess GVB HF Huckel INDO Integral IOp IRC ADMP AM1 Amber B3LYP BD BOMD CacheSize CASSCF CBSExtrapolate CCD, CCSD Charge ChkBasis CID, CISD CIS, CIS(D) ...

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AB INITIO CALCULATIONS ON He3 PowerPoint PPT Presentation

AB INITIO CALCULATIONS ON He3 - The model will be subsequently employed in calculations of the the electronic and geometric structure of these ... method CASSCF(5,10) / icMRCI (5 active electrons ...

The model will be subsequently employed in calculations of the the electronic and geometric structure of these ... method CASSCF(5,10) / icMRCI (5 active electrons ...

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IR and NMR Spectroscopy PowerPoint PPT Presentation

IR and NMR Spectroscopy - Gaussian Defaults Split. RHF and RDFT for Closed Shell ... This parameter is used in spin orbit coupling (see CASSCF=SpinOrbit), and the ...

Gaussian Defaults Split. RHF and RDFT for Closed Shell ... This parameter is used in spin orbit coupling (see CASSCF=SpinOrbit), and the ...

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Diapositive 1 PowerPoint PPT Presentation

Diapositive 1 - DYNAMICS AROUND CRITICAL FEATURES OF ENERGY LANDSCAPES BRUXELLES N. Vaeck LIEGE G. Dive ORSAY D. Lauvergnat Y. Justum B. Lasorne

DYNAMICS AROUND CRITICAL FEATURES OF ENERGY LANDSCAPES BRUXELLES N. Vaeck LIEGE G. Dive ORSAY D. Lauvergnat Y. Justum B. Lasorne

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Applications III: Excited States, Solutions, Surfaces PowerPoint PPT Presentation

Applications III: Excited States, Solutions, Surfaces - Applications III: Excited States, Solutions, Surfaces Lecture CompChem 7 Chemistry 347 Hope College Excited State Methods Difficult to compute,as methods tend to find ...

Applications III: Excited States, Solutions, Surfaces Lecture CompChem 7 Chemistry 347 Hope College Excited State Methods Difficult to compute,as methods tend to find ...

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COST%20P9 - experiment : Adiabatic potentials U C2 ... Non adiabatic processes in excited electronic states ... Role of the spin-orbit interactions and non-adiabatic effects ...

experiment : Adiabatic potentials U C2 ... Non adiabatic processes in excited electronic states ... Role of the spin-orbit interactions and non-adiabatic effects ...

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Chemische Reaktionen (1) PowerPoint PPT Presentation

Chemische Reaktionen (1) - Chemische Reaktionen (1) Bei einer chemischen Reaktion werden kovalente Bindungen gebrochen und/oder neu verkn pft Reorganisierung der Elektronen erforderlich ...

Chemische Reaktionen (1) Bei einer chemischen Reaktion werden kovalente Bindungen gebrochen und/oder neu verkn pft Reorganisierung der Elektronen erforderlich ...

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Quantum Chemistry PowerPoint PPT Presentation

Quantum Chemistry - 1 Quantum Chemistry, Ira N. Levine.Fifth Edition, 2000 2 - ( ...

1 Quantum Chemistry, Ira N. Levine.Fifth Edition, 2000 2 - ( ...

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Photochemistry Meets Physics: Semiclassical Dynamics of Lightdriven Molecular Switches PowerPoint PPT Presentation

Photochemistry Meets Physics: Semiclassical Dynamics of Lightdriven Molecular Switches - QM/MM description of the whole system (examples: Roethlisberger, Baldridge, Olivucci et al. ... Ben Nun and Martinez (Chem. Phys. 259 (2000) 237) ...

QM/MM description of the whole system (examples: Roethlisberger, Baldridge, Olivucci et al. ... Ben Nun and Martinez (Chem. Phys. 259 (2000) 237) ...

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Computational Molecular Spectroscopy of FeCO in the 3S- and 1 5S- Electronic States PowerPoint PPT Presentation

Computational Molecular Spectroscopy of FeCO in the 3S- and 1 5S- Electronic States - Tsuneo Hirano,1 Rei Okuda,2 Umpei Nagashima,2 Per Jensen3 ... First-row transition-metal containing molecule is ... Kasai, Obi, Ohshima, Endo, Kawaguchi (1995) ...

Tsuneo Hirano,1 Rei Okuda,2 Umpei Nagashima,2 Per Jensen3 ... First-row transition-metal containing molecule is ... Kasai, Obi, Ohshima, Endo, Kawaguchi (1995) ...

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Structure, bonding, and spectroscopy of actinides in crystals A quantum chemical perspective PowerPoint PPT Presentation

Structure, bonding, and spectroscopy of actinides in crystals A quantum chemical perspective - Instituto Universitario de Ciencia de Materiales Nicol s Cabrera ... Jos Luis Pascual. me. Jos Gracia. Fernando Ruip rez. on campus, UAM 2006. Goar S nchez ...

Instituto Universitario de Ciencia de Materiales Nicol s Cabrera ... Jos Luis Pascual. me. Jos Gracia. Fernando Ruip rez. on campus, UAM 2006. Goar S nchez ...

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HIGH PERFORMANCE ELECTRONIC STRUCTURE THEORY PowerPoint PPT Presentation

HIGH PERFORMANCE ELECTRONIC STRUCTURE THEORY - HF Often Reasonable Starting Point for Ground States, Small Diradical Character ... Vibronic (derivative) coupling (Tim Dudley) Conical intersections, photochemistry ...

HF Often Reasonable Starting Point for Ground States, Small Diradical Character ... Vibronic (derivative) coupling (Tim Dudley) Conical intersections, photochemistry ...

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Time-dependent density-functional theory PowerPoint PPT Presentation

Time-dependent density-functional theory - Static and time-dependent density-functional theory. Hohenberg and Kohn (1964): All physical observables of a static many-body system are, in principle, functionals ...

Static and time-dependent density-functional theory. Hohenberg and Kohn (1964): All physical observables of a static many-body system are, in principle, functionals ...

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Quantum Mechanics in Biology PowerPoint PPT Presentation

Quantum Mechanics in Biology - Multiple electronic states Photobiology. Cytochrome c Oxidase. ET/PT/Bond Rearrangement ... Terminal Enzyme in Respiratory Chain. Proton Transfer ...

Multiple electronic states Photobiology. Cytochrome c Oxidase. ET/PT/Bond Rearrangement ... Terminal Enzyme in Respiratory Chain. Proton Transfer ...

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Electronic Structure for Excited States (multiconfigurational methods) PowerPoint PPT Presentation

Electronic Structure for Excited States (multiconfigurational methods) - Electronic Structure for Excited States (multiconfigurational methods) Spiridoula Matsika Excited Electronic States Theoretical treatment of excited states is needed ...

Electronic Structure for Excited States (multiconfigurational methods) Spiridoula Matsika Excited Electronic States Theoretical treatment of excited states is needed ...

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Basics of Quantum Chemistry PowerPoint PPT Presentation

Basics of Quantum Chemistry - Title: PES Topography Author: Todd J. Martinez Last modified by: Todd J. Martinez Created Date: 5/28/2001 11:15:40 PM Document presentation format

Title: PES Topography Author: Todd J. Martinez Last modified by: Todd J. Martinez Created Date: 5/28/2001 11:15:40 PM Document presentation format

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OUR CORPORATE SPONSORS PowerPoint PPT Presentation

OUR CORPORATE SPONSORS - A Comparison of Ground and Excited State Properties Using ... Curcumin. Computed Measured AM1/RPA/COSMO. Abs. Fl. Abs. Fl. Cyclohexane 422 489 67 409 444 35 ...

A Comparison of Ground and Excited State Properties Using ... Curcumin. Computed Measured AM1/RPA/COSMO. Abs. Fl. Abs. Fl. Cyclohexane 422 489 67 409 444 35 ...

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Modeling the stacking in Thiophene Oligomers PowerPoint PPT Presentation

Modeling the stacking in Thiophene Oligomers - DFT shows good agreement with MP2, but delocalizes the charge, ... Car ... LDA shows important overbinding, while GGA is in good agreement with higher ...

DFT shows good agreement with MP2, but delocalizes the charge, ... Car ... LDA shows important overbinding, while GGA is in good agreement with higher ...

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Automatic Construction of Ab Initio Potential Energy Surfaces PowerPoint PPT Presentation

Automatic Construction of Ab Initio Potential Energy Surfaces - Interpolative Moving Least Squares (IMLS) Fitting of Ab Initio Data for ... Type of coordinates, Jacobi, valence, bond distances ...

Interpolative Moving Least Squares (IMLS) Fitting of Ab Initio Data for ... Type of coordinates, Jacobi, valence, bond distances ...

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Geochemical Modeling ShortCourse PowerPoint PPT Presentation

Geochemical Modeling ShortCourse - Geochemical Modeling. Short-Course. By Matthew C. F. Wander. Course Instructor. Matthew Wander. email: mwander@notes.cc.sunysb.edu. Office: ESS 205 ...

Geochemical Modeling. Short-Course. By Matthew C. F. Wander. Course Instructor. Matthew Wander. email: mwander@notes.cc.sunysb.edu. Office: ESS 205 ...

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Modelling light induced events in complex molecular architectures: moving towards an accurate comput PowerPoint PPT Presentation

Modelling light induced events in complex molecular architectures: moving towards an accurate comput - Full Description of a Photochemical Reaction Path and Photoinduced Motion ... Fumaramide moiety. FUMARAMIDE BASED ROTAXANE: A PHOTOSWICHABLE SYSTEM ...

Full Description of a Photochemical Reaction Path and Photoinduced Motion ... Fumaramide moiety. FUMARAMIDE BASED ROTAXANE: A PHOTOSWICHABLE SYSTEM ...

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Pr - 'The final identification of a molecule relies upon the perfect match of the ... Meteorites are known to contain micrometer sized graphite grains with embedded ...

'The final identification of a molecule relies upon the perfect match of the ... Meteorites are known to contain micrometer sized graphite grains with embedded ...

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TimeDependent Density Functional Theory - Ab Initio Quantum Dynamics 'On-the-fly' solution of electronic and nuclear ... Tailor the requirements of quantum dynamics to quantum chemistry. and vice-versa! ...

Ab Initio Quantum Dynamics 'On-the-fly' solution of electronic and nuclear ... Tailor the requirements of quantum dynamics to quantum chemistry. and vice-versa! ...

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R' Seeger and J' A' Pople, J' Chem' Phys' 66, 1977 PowerPoint PPT Presentation

R' Seeger and J' A' Pople, J' Chem' Phys' 66, 1977 - ???????? ?? ?????? ???????? ?? ???????????? ?? ????????? ... E= E0 Evib Erot Etrans. ?????????? ???????? ???????. H=E RT. ????????. G=H-TS. ??????? ??????? ...

???????? ?? ?????? ???????? ?? ???????????? ?? ????????? ... E= E0 Evib Erot Etrans. ?????????? ???????? ???????. H=E RT. ????????. G=H-TS. ??????? ??????? ...

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LIF and Microwave Spectroscopy of CH2CHS PowerPoint PPT Presentation

LIF and Microwave Spectroscopy of CH2CHS - Sulfur analogue of the vinoxy radical, CH2CHO. Only one ab ... Precursor: ethyl vinyl sulfide, C2H5-S-CH=CH2. 248-nm photolysis (room-temp. LIF observation) ...

Sulfur analogue of the vinoxy radical, CH2CHO. Only one ab ... Precursor: ethyl vinyl sulfide, C2H5-S-CH=CH2. 248-nm photolysis (room-temp. LIF observation) ...

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CHEM 834: Computational Chemistry PowerPoint PPT Presentation

CHEM 834: Computational Chemistry - review of quantum mechanics. basic principles of quantum ... Hartree-Fock ... consider allyl anion: excitation allows one of the original' 2 electrons to ...

review of quantum mechanics. basic principles of quantum ... Hartree-Fock ... consider allyl anion: excitation allows one of the original' 2 electrons to ...

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NIR OFFAXIS ICOS SPECTRUM OF THE NITRATE RADICAL: DOES THE VIBRATIONLESS 2E STATE OF NO3 UNDERGO STA PowerPoint PPT Presentation

NIR OFFAXIS ICOS SPECTRUM OF THE NITRATE RADICAL: DOES THE VIBRATIONLESS 2E STATE OF NO3 UNDERGO STA - Over 50 vibronic bands detected from 6500-11000 cm-1. Weak bands: 10-20 cm2 ... Herzberg-Teller Selection Rules limit vibronic levels that are seen. 41 : E ...

Over 50 vibronic bands detected from 6500-11000 cm-1. Weak bands: 10-20 cm2 ... Herzberg-Teller Selection Rules limit vibronic levels that are seen. 41 : E ...

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Computational Chemistry Software at TACC and The GridChem Computational Chemistry Grid PowerPoint PPT Presentation

Computational Chemistry Software at TACC and The GridChem Computational Chemistry Grid - Molecular dynamics (force field includes AMBER, GROMOS, CHARMM) Coupled QM/MM dynamics ... Force field: CHARMM19, CHARMM22, CHARMM27, Amber, OPLS, Gromacs ...

Molecular dynamics (force field includes AMBER, GROMOS, CHARMM) Coupled QM/MM dynamics ... Force field: CHARMM19, CHARMM22, CHARMM27, Amber, OPLS, Gromacs ...

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Computational and Experimental Studies of CO2 Photocatalytic Reduction on Undoped and Lanthanide-doped Titania PowerPoint PPT Presentation

Computational and Experimental Studies of CO2 Photocatalytic Reduction on Undoped and Lanthanide-doped Titania - http://gears.aset.psu.edu/hpc/systems/ What surface plane? (010), (001), (101) ... Photo-induced oxidation of carbonate ions by duroquinone, a pathway of oxygen ...

http://gears.aset.psu.edu/hpc/systems/ What surface plane? (010), (001), (101) ... Photo-induced oxidation of carbonate ions by duroquinone, a pathway of oxygen ...

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Computer Modeling PowerPoint PPT Presentation

Computer Modeling - Computer Modeling Dr. GuanHua CHEN Department of Chemistry University of Hong Kong http://yangtze.hku.hk/lecture/comput06-07.ppt Computational Chemistry Quantum ...

Computer Modeling Dr. GuanHua CHEN Department of Chemistry University of Hong Kong http://yangtze.hku.hk/lecture/comput06-07.ppt Computational Chemistry Quantum ...

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HIGH PERFORMANCE ELECTRONIC STRUCTURE THEORY - HF Often Reasonable Starting Point for Ground States, Small ... Ryan Olson, Ian Pimienta, Alistair Rendell. Collaboration w/ Piotr Piecuch, Ricky Kendall ...

HF Often Reasonable Starting Point for Ground States, Small ... Ryan Olson, Ian Pimienta, Alistair Rendell. Collaboration w/ Piotr Piecuch, Ricky Kendall ...

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Quantum Chemistry at MCSR PowerPoint PPT Presentation

Quantum Chemistry at MCSR - Choose theoretical methods that provide a good balance of accuracy ... Exotic or cutting edge methods tend to be much more limited. Multi-reference, post-HF ...

Choose theoretical methods that provide a good balance of accuracy ... Exotic or cutting edge methods tend to be much more limited. Multi-reference, post-HF ...

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Aucun titre de diapositive PowerPoint PPT Presentation

Aucun titre de diapositive - one bond = an interaction between two singly occupied atomic orbitals ... Molecules displaying electron conjugation. The VB wave function Y(1 2) for the ground state ...

one bond = an interaction between two singly occupied atomic orbitals ... Molecules displaying electron conjugation. The VB wave function Y(1 2) for the ground state ...

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Electronic Structure Calculations of Structure and Reactivity: Opportunities and Challenges PowerPoint PPT Presentation

Electronic Structure Calculations of Structure and Reactivity: Opportunities and Challenges - Local MP2 timings (Mike Lee) 600 MHz Alpha 21164, cc-pVDZ basis ... Yihan Shao Jenni Weisman. Dr. Steve Gwaltney Dr. Cherri Hsu ...

Local MP2 timings (Mike Lee) 600 MHz Alpha 21164, cc-pVDZ basis ... Yihan Shao Jenni Weisman. Dr. Steve Gwaltney Dr. Cherri Hsu ...

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Curriculum Vitae PowerPoint PPT Presentation

Curriculum Vitae - Suma de la energ a electr nica y la energ a de repulsi n nuclear (PES) ... Aproximaci n adiab tica (coeficientes fuera-diagonales c (R) nulos): a. a' ...

Suma de la energ a electr nica y la energ a de repulsi n nuclear (PES) ... Aproximaci n adiab tica (coeficientes fuera-diagonales c (R) nulos): a. a' ...

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Modelling of Materials and Nanotechnologies: PowerPoint PPT Presentation

Modelling of Materials and Nanotechnologies: - Modelling of Materials and Nanotechnologies: From Ab Initio to Macro-Simulations Dr. J r me Cornil Jerome.Cornil@umons.ac.be Laboratory for Chemistry of Novel Materials

Modelling of Materials and Nanotechnologies: From Ab Initio to Macro-Simulations Dr. J r me Cornil Jerome.Cornil@umons.ac.be Laboratory for Chemistry of Novel Materials

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Electron Correlation Wave Funtion Methods PowerPoint PPT Presentation

Electron Correlation Wave Funtion Methods - For : Fermi hole. Electron correlation energy. Ecorr = Eexact - EHF. HF calculations do not account for electron correlation. ... We only discuss RHF (and ROHF) ...

For : Fermi hole. Electron correlation energy. Ecorr = Eexact - EHF. HF calculations do not account for electron correlation. ... We only discuss RHF (and ROHF) ...

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Double Excitations and Conical Intersections in Time-Dependent Density Functional Theory PowerPoint PPT Presentation

Double Excitations and Conical Intersections in Time-Dependent Density Functional Theory - Double Excitations and Conical Intersections in. Time-Dependent Density ... Projected Computation Time for the first singlet excited state of the entire PYP ...

Double Excitations and Conical Intersections in. Time-Dependent Density ... Projected Computation Time for the first singlet excited state of the entire PYP ...

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CHEM 834: Computational Chemistry - the methods we've explored are designed to get the ground state wavefunction or ... C-C -bond in ethene. C-C -bond in ethene. 25. Linear Combination of Basis Functions ...

the methods we've explored are designed to get the ground state wavefunction or ... C-C -bond in ethene. C-C -bond in ethene. 25. Linear Combination of Basis Functions ...

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Aucun titre de diapositive - Breathing Orbital Valence Bond (BOVB) A Valence Bond Method ... 1s 1s j j j j j j j j. Electron pairs are in delocalized orbitals. The Valence Bond model ...

Breathing Orbital Valence Bond (BOVB) A Valence Bond Method ... 1s 1s j j j j j j j j. Electron pairs are in delocalized orbitals. The Valence Bond model ...

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Overview of HartreeFock to Coupledcluster Methods in Quantum Chemistry Sourav Pal National Chemical PowerPoint PPT Presentation

Overview of HartreeFock to Coupledcluster Methods in Quantum Chemistry Sourav Pal National Chemical - International Workshop on Computational Material Science, Fuzhou, China 16 ... Rev. A. 34, 2682 (1986); Phys.Rev.A,39,39,(1989); N. Vaval, K.B.Ghose and S. Pal, ...

International Workshop on Computational Material Science, Fuzhou, China 16 ... Rev. A. 34, 2682 (1986); Phys.Rev.A,39,39,(1989); N. Vaval, K.B.Ghose and S. Pal, ...

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CI - Excited states from AA,BB:AA,BB singles matrix: Excitation energies and oscillator strengths: ... guess=(local,alter) GVB-??????. There are 9 symmetry adapted ...

Excited states from AA,BB:AA,BB singles matrix: Excitation energies and oscillator strengths: ... guess=(local,alter) GVB-??????. There are 9 symmetry adapted ...

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Utilization of EGEE Grid as a Computational Platform for Chemistry PowerPoint PPT Presentation

Utilization of EGEE Grid as a Computational Platform for Chemistry - (1)ACC CYFRONET AGH, (2)University of Perugia, (3)CESNET, (4) ... accepta- ble? NO. YES. TRAJ: application. using classical. mechanics. calculations. CAVEATS ...

(1)ACC CYFRONET AGH, (2)University of Perugia, (3)CESNET, (4) ... accepta- ble? NO. YES. TRAJ: application. using classical. mechanics. calculations. CAVEATS ...

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Vibration-rotation spectra from first principles PowerPoint PPT Presentation

Vibration-rotation spectra from first principles - ... 16 10 23947. (8,0)+0 (800) 24 20 25120. (8,0) 0 (701) 12 6 23 18 25120.278 ...

... 16 10 23947. (8,0)+0 (800) 24 20 25120. (8,0) 0 (701) 12 6 23 18 25120.278 ...

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Computational Chemistry - Computational Chemistry

Computational Chemistry

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OBJECTIVE: Accelerate Quantum Chemistry (QC) simulations of chemical and excited-states reactions by 1000 times by creating semi-empirical potentials approaching accuracy of high-level methods. - Awarded Silver Medal in Human Competitive Design at Genetic and Evolutionary ... K. Sastry, D.D. Johnson, Alexis L. Thompson, D.E. Goldberg, 'Optimization of ...

Awarded Silver Medal in Human Competitive Design at Genetic and Evolutionary ... K. Sastry, D.D. Johnson, Alexis L. Thompson, D.E. Goldberg, 'Optimization of ...

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Vibrationrotation spectra from first principles - 'Experiments (are) measured to tenths of wave numbers... Partridge & Schwenke (PS) 1997 11155 Ab initio. Partridge & Schwenke 1997 11128 Spectroscopic Empirical ...

'Experiments (are) measured to tenths of wave numbers... Partridge & Schwenke (PS) 1997 11155 Ab initio. Partridge & Schwenke 1997 11128 Spectroscopic Empirical ...

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Timedependent densityfunctional theory - The TDSE describes the time evolution of a many-body state ... assume fall-off of n0 rapid enough that surface-integral 0. integrand 0, so if integral 0, then ...

The TDSE describes the time evolution of a many-body state ... assume fall-off of n0 rapid enough that surface-integral 0. integrand 0, so if integral 0, then ...

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CHAPTER 14 Research in Computational Chemistry and Molecular modeling PowerPoint PPT Presentation

CHAPTER 14 Research in Computational Chemistry and Molecular modeling - The ISA can be determined using the so-called probe-atom model, 18 ... by Atashi Basu Mukhopadhyay, Christina Oligschleger, Michael Dolg revealed the ...

The ISA can be determined using the so-called probe-atom model, 18 ... by Atashi Basu Mukhopadhyay, Christina Oligschleger, Michael Dolg revealed the ...

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Calculating the infrared spectra of hot astrophysical molecules - Calculating the infrared spectra of hot astrophysical molecules

Calculating the infrared spectra of hot astrophysical molecules

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MODELING THE DOUBLYEXCITED STATE WITH REALTIME PowerPoint PPT Presentation

MODELING THE DOUBLYEXCITED STATE WITH REALTIME - ... a density that is treated as a ground state density within the DFT formalism. ... that only single-electron processes are present within the TDHF/TDDFT formalism. ...

... a density that is treated as a ground state density within the DFT formalism. ... that only single-electron processes are present within the TDHF/TDDFT formalism. ...

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Computational Quantum Chemistry Part I' Obtaining Properties PowerPoint PPT Presentation

Computational Quantum Chemistry Part I' Obtaining Properties - ... their equilibrium states at standard pressure, typically 1 atm or 1 bar (0.1 MPa) ... CBS methods are compound methods that give impressive results. ...

... their equilibrium states at standard pressure, typically 1 atm or 1 bar (0.1 MPa) ... CBS methods are compound methods that give impressive results. ...

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Structure-Function Relationship of Retinal Proteins - Structure-Function Relationship of Retinal Proteins

Structure-Function Relationship of Retinal Proteins

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Materials Computation Center R.M. Martin and J.P. Leburton, University of Illinois, DMR 99-76550 Spintronics in Quantum Dots PowerPoint PPT Presentation

Materials Computation Center R.M. Martin and J.P. Leburton, University of Illinois, DMR 99-76550 Spintronics in Quantum Dots - Research Objectives: Accelerate quantum chemistry (QC) simulations via machine-learning. ... Previously, sequential weighted local optimization yielded ...

Research Objectives: Accelerate quantum chemistry (QC) simulations via machine-learning. ... Previously, sequential weighted local optimization yielded ...

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Reunin ProfesoresInvestigadores' FACULTAD DE QUIMICA PowerPoint PPT Presentation

Reunin ProfesoresInvestigadores' FACULTAD DE QUIMICA - La l nea de investigaci n en la que participa corresponde al rea de la qu mica ... Quenching of excited 1P1 state atomic zinc by molecular nitrogen: A matrix ...

La l nea de investigaci n en la que participa corresponde al rea de la qu mica ... Quenching of excited 1P1 state atomic zinc by molecular nitrogen: A matrix ...

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http://www.pdbj.org/ - http:www'pdbj'org

http:www'pdbj'org

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Casscf PowerPoint PPT Presentations