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1

Roothaan-Hartree-Fock atomic wavefunctions: Basis functions and their coefficients for ground and certain excited states of neutral and ionized atoms, Z≤54

Enrico Clementi, Carla Roetti

Journal:

Atomic Data and Nuclear Data Tables

Year:

1974

Language:

english

File:

PDF, 14.80 MB

english, 1974

2

The influence of clay brick substratum on the inhibitory efficiency of TiO2 nanocoating against biofouling

Graziani, Lorenzo, Quagliarini, Enrico, Osimani, Andrea, Aquilanti, Lucia, Clementi, Francesca, D'Orazio, Marco

Journal:

Building and Environment

Year:

2014

Language:

english

File:

PDF, 1.96 MB

english, 2014

3

Experimental assessment of concrete compressive strength in old existing RC buildings: A possible way to reduce the dispersion of DT results

Quagliarini, Enrico, Clementi, Francesco, Maracchini, Gianluca, Monni, Francesco

Journal:

Journal of Building Engineering

Year:

2016

Language:

english

File:

PDF, 749 KB

english, 2016

4

Correlation Energy for Atomic Systems

Clementi, Enrico

Journal:

The Journal of Chemical Physics

Year:

1963

Language:

english

File:

PDF, 880 KB

english, 1963

5

Real-life multidisciplinary treatment for unresectable colorectal cancer liver metastases including hepatic artery infusion with chemo-filtration and liquid biopsy precision oncotherapy: observational cohort study

Guadagni, Stefano, Clementi, Marco, Mackay, Andrew R., Ricevuto, Enrico, Fiorentini, Giammaria, Sarti, Donatella, Palumbo, Paola, Apostolou, Panagiotis, Papasotiriou, Ioannis, Masedu, Francesco, Valen

Journal:

Journal of Cancer Research and Clinical Oncology

Year:

2020

Language:

english

File:

PDF, 1.39 MB

english, 2020

6

The Treatment of Rotational Motion in Molecular Dynamics

Roland Sonnenschein, Aatto Laaksonen, Enrico Clementi

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 224 KB

english, 1986

7

A program to introduce local symmetry in AB-initio computations of molecules: IBMOL-7

Emanuele Ortoleva, Giorgio Castiglione, Enrico Clementi

Journal:

Computer Physics Communications

Year:

1980

Language:

english

File:

PDF, 1.69 MB

english, 1980

8

Theoretical modeling of sodium chloride and related systems. I. The interaction energies

Aatto Laaksonen, Giorgina Corongiu, Enrico Clementi

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 460 KB

english, 1984

9

Non-additivity in water-ion-water interactions

Enrico Clementi, Hans Kistenmacher, Włodzimierz Kołos, Silvano Romano

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1980

Language:

english

File:

PDF, 402 KB

english, 1980

10

From Hartree–Fock and Heitler–London to chemical orbitals

Giorgina Corongiu, Enrico Clementi

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2009

Language:

english

File:

PDF, 758 KB

english, 2009

11

Selected topics in ab initio computational chemistry in both very small and very large chemical systems

Clementi, Enrico., Corongiu, Giorgina., Bahattacharya, Deleep., Feuston, Bradley., Frye, Daniel., Preiskorn, Alexandra., Rizzo, Antonio., Xue, Weige.

Journal:

Chemical Reviews

Year:

1991

Language:

english

File:

PDF, 3.62 MB

english, 1991

12

Electronic structure in aromatic compounds

Clementi, Enrico.

Journal:

Chemical Reviews

Year:

1968

Language:

english

File:

PDF, 3.70 MB

english, 1968

13

Electric-field induced intramolecular electron transfer in spiro .pi.-electron systems and their suitability as molecular electronic devices. A theoretical study

Farazdel, Abbas, Dupuis, Michel, Clementi, Enrico, Aviram, Ari

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 1.13 MB

english, 1990

14

Role of addition compounds in the halogenation of benzofurans and benzothiophens

Baciocchi, Enrico, Clementi, Sergio, Sebastiani, Giovanni V.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1976

Language:

english

File:

PDF, 525 KB

english, 1976

15

Evolution of computers and simulations: from science and technology to the foundations of society

Clementi, Enrico

Journal:

Science China Chemistry

Year:

2014

Language:

english

File:

PDF, 1.73 MB

english, 2014

16

Analytical Self-Consistent Field Functions for Positive Ions. I. Isoelectronic Series with 2 to 10 Electrons

Clementi, Enrico

Journal:

The Journal of Chemical Physics

Year:

1963

Language:

english

File:

PDF, 504 KB

english, 1963

17

Analytical Self-Consistent Field Functions for Positive Ions. II. Isoelectronic Series with 11 to 18 Electrons

Clementi, Enrico

Journal:

The Journal of Chemical Physics

Year:

1963

Language:

english

File:

PDF, 781 KB

english, 1963

18

Correlation Energy for Atomic Systems. II. Isoelectronic Series with 11 to 18 Electrons

Clementi, Enrico

Journal:

The Journal of Chemical Physics

Year:

1963

Language:

english

File:

PDF, 528 KB

english, 1963

19

Numerical model upgrading of a historical masonry palace monitored with a wireless sensor network

Pierdicca, Alessio, Clementi, Francesco, Isidori, Daniela, Concettoni, Enrico, Cristalli, Cristina, Lenci, Stefano

Journal:

International Journal of Masonry Research and Innovation

Year:

2016

Language:

english

File:

PDF, 1.08 MB

english, 2016

20

Differential Composition of Vaginal Microbiome, but Not of Seminal Microbiome, Is Associated With Successful Intrauterine Insemination in Couples With Idiopathic Infertility: A Prospective Observational Study

Amato, Virginia, Papaleo, Enrico, Pasciuta, Renée, Viganò, Paola, Ferrarese, Roberto, Clementi, Nicola, Sanchez, Ana Maria, Quaranta, Lavinia, Burioni, Roberto, Ambrosi, Alessandro, Salonia, Andrea, C

Journal:

Open Forum Infectious Diseases

Year:

2020

Language:

english

File:

PDF, 961 KB

english, 2020

21

Comments on the topic “computation of large molecules”

Lorenzo Pisani, Laurent De Windt, Enrico Clementi

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 1.56 MB

english, 1996

22

Note on the atomic correlation energy

Enrico Clementi, Giorgina Corongiu

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 391 KB

english, 1997

23

Conformational studies on polynucleotide chains. I. Hartree-fock energies and description of nonbonded interactions with Lennard-Jones potentials

Osamu Matsuoka, Camillo Tosi, Enrico Clementi

Journal:

Year:

1978

Language:

english

File:

PDF, 912 KB

english, 1978

24

Conformational studies on polynucleotide chains. III. Intramolecular energy maps and comparison with experiments

Camillo Tosi, Enrico Clementi, Osamu Matsuoka

Journal:

Year:

1978

Language:

english

File:

PDF, 878 KB

english, 1978

25

Conformational studies on polynucleotide chains. II. Analysis of steric interactions and derivation of potential functions for internal rotations

Camillo Tosi, Enrico Clementi, Osamu Matsuoka

Journal:

Year:

1978

Language:

english

File:

PDF, 885 KB

english, 1978

26

Conformational studies on polynucleotide chains. III. Intramolecular energy maps and comparison with experiments

Camillo Tosi, Enrico Clementi, Osamu Matsuoka

Journal:

Year:

1978

Language:

english

File:

PDF, 50 KB

english, 1978

27

Conformational studies on polynucleotide chains. IV. Backbone structure of ribonucleic acids

Camillo Tosi, Emilio Pescatori, Enrico Clementi

Journal:

Year:

1979

Language:

english

File:

PDF, 1.03 MB

english, 1979

28

Simulations of the solvent structure for macromolecules. I. Solvation of B-DNA double helix at T = 300 K

Giorgina Corongiu, Enrico Clementi

Journal:

Year:

1981

Language:

english

File:

PDF, 1.54 MB

english, 1981

29

Simulations of the solvent structure for macromolecules. II. Structure of water solvating Na+-B-DNA at 300 K and a model for conformational transitions induced by solvent variations

Giorgina Corongiu, Enrico Clementi

Journal:

Year:

1981

Language:

english

File:

PDF, 3.03 MB

english, 1981

30

Simulations of the solvent structure for macromolecules. III. Determination of the Na+ counter ion structure

Enrico Clementi, Giorgina Corongiu

Journal:

Year:

1982

Language:

english

File:

PDF, 762 KB

english, 1982

31

Lysinium, argininum, glutamate, and aspartate ions in water solution

Graziella Ranghino, Enrico Clementi, Silvano Romano

Journal:

Year:

1983

Language:

english

File:

PDF, 561 KB

english, 1983

32

Orientational and rotational velocity correlation functions for water-hydrating B- and Z-DNA double helices

Kandadai N. Swamy, Enrico Clementi

Journal:

Year:

1989

Language:

english

File:

PDF, 345 KB

english, 1989

33

Representation of a chemical system of interacting species: Ions and biomolecules in solution, as an example

Enrico Clementi, Soc. Montedison

Journal:

Bulletin des Sociétés Chimiques Belges

Year:

1976

Language:

english

File:

PDF, 389 KB

english, 1976

34

Interaction of Ca2+ and Mg2+ with Ionophores Studied by Using a Pair-Potential Model Based on ab initio Calculations

Martin Welti, Ernö Pretsch, Enrico Clementi, Wilhelm Simon

Journal:

Helvetica Chimica Acta

Year:

1982

Language:

english

File:

PDF, 559 KB

english, 1982

35

On velocity scaling in molecular dynamics simulations

Kersti Hermansson, George C. Lie, Enrico Clementi

Journal:

Journal of Computational Chemistry

Year:

1988

Language:

english

File:

PDF, 345 KB

english, 1988

36

Techniques for the compression of sequences of integer numbers and real numbers with fixed absolute precision

Omar G. Stradella, Giorgina Corongiu, Enrico Clementi

Journal:

Journal of Computational Chemistry

Year:

1993

Language:

english

File:

PDF, 657 KB

english, 1993

37

Liquid water: density of states spectra of solvated water molecules with specific coordination

Giorgina Corongiu, Enrico Clementi

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 507 KB

english, 1993

38

Spin-orbital interaction in N-heterocyclic molecules general results in a cylindrical potential approximation

Enrico Clementi, Michael Kasha

Journal:

Journal of Molecular Spectroscopy

Year:

1958

Language:

english

File:

PDF, 676 KB

english, 1958

39

On the 3E1u - 1A1g intercombination in benzene

Enrico Clementi

Journal:

Journal of Molecular Spectroscopy

Year:

1961

Language:

english

File:

PDF, 744 KB

english, 1961

40

Approximate relativistic correction for 10–18 electrons in atoms

Enrico Clementi

Journal:

Journal of Molecular Spectroscopy

Year:

1964

Language:

english

File:

PDF, 290 KB

english, 1964

41

Liquid and solid phases of water: an extensive molecular dynamics simulation with an ab initio polarizable potential

Enrico Clementi, Giorgina Corongiu, Francesco Sciortino

Journal:

Journal of Molecular Structure

Year:

1993

Language:

english

File:

PDF, 820 KB

english, 1993

42

Molecular correlation energy with the HF–CC method

Enrico Clementi, Giorgina Corongiu

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 263 KB

english, 1998

43

ab-initio computations in biomolecules: electronic charge variations due to the solvent field

Enrico Clementi, Giorgina Corongiu

Journal:

Inorganica Chimica Acta

Year:

1980

Language:

english

File:

PDF, 106 KB

english, 1980

44

Solvent–solute interactions by quantum-mechanical and statistical mechanical simulations

Enrico Clementi

Journal:

Inorganica Chimica Acta

Year:

1980

Language:

english

File:

PDF, 86 KB

english, 1980

45

Early parallelism with a loosely coupled array of processors: The ICAP experiment

Enrico Clementi, Giorgina Corongiu

Journal:

Parallel Computing

Year:

1999

Language:

english

File:

PDF, 232 KB

english, 1999

46

Comments on computational chemistry: From diatomic molecules to large biochemical systems

Enrico Clementi, Giorgina Corongiu

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 552 KB

english, 2005

47

From atomic and molecular orbitals to chemical orbitals

Enrico Clementi, Giorgina Corongiu

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 292 KB

english, 2008

48

Energy and density analysis on the H2 molecule from the united atom to dissociation: The Σ, Π, Δ, ϕ, and Γ manifolds

Giorgina Corongiu, Enrico Clementi

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 4.91 MB

english, 2011

49

Study of the electronic structure of molecules. XV. Comments on the molecular orbital valency state and on the molecular orbital energies

Enrico Clementi, Anne Routh

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 662 KB

english, 1972

50

Monte carlo simulation of water solvent with biomolecules. Glycine and the corresponding zwitterion

Silvano Romano, Enrico Clementi

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 513 KB

english, 1978